<html><head></head><body><div class="ydpe3883c67yahoo-style-wrap" style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:13px;"><div id="ydpe3883c67yiv6047689572"><div class="ydpe3883c67yiv6047689572yahoo-style-wrap" style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:13px;"><div dir="ltr"><div><p class="ydpc21521b2MsoNormal" align="left" style="background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">Dear all, </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> </span></p>
<div style="background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">I am trying to learn
the wannier90 code using the well-known Si compound, which is an example from
the tutorial. “num_bands = 12 and num_wann = 8” and “initial projections: Si :
sp3”. Everything looks fine: no any error message is generated and WF band
structures are good agreement with the DFT band structures. However, when I visualize the
generated 8 WF (name. xsf), there are two points against my intuitions. </span></div>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><!--[if !supportLists]--><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-fareast-font-family:Helvetica;mso-bidi-font-family:Helvetica;color:black;mso-font-kerning:0pt">1.<span style="font-stretch: normal; font-size: 7pt; line-height: normal; font-family: Times New Roman;">
</span></span><!--[endif]--><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">The WF at each Si does looks like the sp3 hybridizations.
But why the WF at the two inequilibrium Si
atoms does not look similar in shape and size. I believe it’s due to the DFT calculation
accuracy. However, with increasing the k-mesh from (4x4x4) to (6x6x6), it does
not improve too much. </span></p>
<div style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-fareast-font-family:Helvetica;mso-bidi-font-family:Helvetica;color:black;mso-font-kerning:0pt">2.<span style="font-stretch: normal; font-size: 7pt; line-height: normal; font-family: Times New Roman;">
</span></span><!--[endif]--><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">In principle, the sp3 hybridized functions at two inequilibrium
Si sites form the covalence bonds. It means that the hybridized functions with
the same sign from the two Si atoms should “mix” with each other and form the
covalence bonds. However, from the current WF, it seems that the sp3 hybridized
functions with the opposite signs from the two Si atoms sit on the bond (see attachment).
It is really confused me.</span></div><div style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span style="font-family: Helvetica, sans-serif; font-size: 10pt;"><br></span></div><div style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span style="font-family: Helvetica, sans-serif; font-size: 10pt;">Please help me understanding the WFs of Si.
The followings are the si.nscf and si.win file. Many thanks.</span></div>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">Best</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">Yongsheng Zhang</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">Si.nscf</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">&control</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
calculation = 'nscf'</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
restart_mode = 'from_scratch'</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
prefix = 'si'</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
pseudo_dir = 'pseudo/'</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
outdir = 'out/'</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">/</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">&system</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
ibrav = 0</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
nat = 2</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
ntyp = 1</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
ecutwfc = 25.0</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
ecutrho = 200.0</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
nbnd = 12</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">/</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">&electrons</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
conv_thr = 1.0d-12</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
diagonalization = 'cg'</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
diago_full_acc = .true. </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">/</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">ATOMIC_SPECIES</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">Si
28. Si.pbe-n-van.UPF</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">ATOMIC_POSITIONS crystal</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">Si
-0.25 0.75 -0.25</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">Si
0.00 0.00 0.00</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">CELL_PARAMETERS bohr</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">-5.1
0.0 5.1</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> 0.0
5.1 5.1</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">-5.1
5.1 0.0</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">K_POINTS crystal</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">64</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.00000000 0.00000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.00000000 0.25000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.00000000 0.50000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.00000000 0.75000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.25000000 0.00000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.25000000 0.25000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> 0.00000000
0.25000000 0.50000000 1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.25000000 0.75000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.50000000 0.00000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.50000000 0.25000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.50000000 0.50000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.50000000 0.75000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.75000000 0.00000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.75000000 0.25000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.75000000 0.50000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.75000000 0.75000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.00000000 0.00000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.00000000 0.25000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.00000000 0.50000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.00000000 0.75000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.25000000 0.00000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.25000000 0.25000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.25000000 0.50000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.25000000 0.75000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.50000000 0.00000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.50000000 0.25000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.50000000 0.50000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.50000000 0.75000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.75000000 0.00000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.75000000 0.25000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.75000000 0.50000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.75000000 0.75000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.00000000 0.00000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.00000000 0.25000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.00000000 0.50000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.00000000 0.75000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.25000000 0.00000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.25000000 0.25000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.25000000 0.50000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.25000000 0.75000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.50000000 0.00000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.50000000 0.25000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.50000000 0.50000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.50000000 0.75000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.75000000 0.00000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.75000000 0.25000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.75000000 0.50000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.75000000 0.75000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.00000000 0.00000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.00000000 0.25000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.00000000 0.50000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.00000000 0.75000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.25000000 0.00000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.25000000 0.25000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.25000000 0.50000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.25000000 0.75000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.50000000 0.00000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.50000000 0.25000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.50000000 0.50000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.50000000 0.75000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.75000000 0.00000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.75000000 0.25000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.75000000 0.50000000
1.562500e-02 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.75000000 0.75000000
1.562500e-02</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">Si.win:</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">use_ws_distance = .true.</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">num_bands =
12</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">num_wann =
8</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">num_iter =
100</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">dis_num_iter = 100</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">dis_froz_max = 6.5</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">dis_win_max = 17</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">iprint =
2</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">num_dump_cycles = 10</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">num_print_cycles = 10</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">!! To plot the WFs</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">! restart = plot</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">wannier_plot =
true</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">wannier_plot_supercell = 3</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">! wannier_plot_list =
1,5</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">!! To plot the WF interpolated
bandstructure</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">bands_plot =
.true.</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">bands_num_points = 200</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">begin kpoint_path</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">L 0.50000
0.50000 0.5000 G 0.00000 0.00000
0.0000</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">G 0.00000
0.00000 0.0000 X 0.50000 0.00000
0.5000</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">X 0.50000 -0.50000 0.0000 K 0.37500
-0.37500 0.0000</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">K 0.37500 -0.37500 0.0000 G 0.00000 0.00000 0.0000</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">end kpoint_path</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">begin projections</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">Si : sp3</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">end projections</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">mp_grid
= 4 4 4</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">begin kpoints</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.00000000 0.00000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.00000000 0.25000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.00000000 0.50000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.00000000 0.75000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.25000000 0.00000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.25000000 0.25000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.25000000 0.50000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.25000000 0.75000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.50000000 0.00000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.50000000 0.25000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.50000000 0.50000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.50000000 0.75000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.75000000 0.00000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.75000000 0.25000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.75000000 0.50000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.00000000 0.75000000 0.75000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.00000000 0.00000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.00000000 0.25000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.00000000 0.50000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.00000000 0.75000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.25000000 0.00000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.25000000 0.25000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.25000000 0.50000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.25000000 0.75000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.50000000 0.00000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.50000000 0.25000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.50000000 0.50000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.50000000 0.75000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.75000000 0.00000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.75000000 0.25000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.75000000 0.50000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.25000000 0.75000000 0.75000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.00000000 0.00000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.00000000 0.25000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.00000000 0.50000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.00000000 0.75000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.25000000 0.00000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.25000000 0.25000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.25000000 0.50000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.25000000 0.75000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.50000000 0.00000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.50000000 0.25000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.50000000 0.50000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.50000000 0.75000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.75000000 0.00000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.75000000 0.25000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.75000000 0.50000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.50000000 0.75000000 0.75000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.00000000 0.00000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.00000000 0.25000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.00000000 0.50000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.00000000 0.75000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.25000000 0.00000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.25000000 0.25000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.25000000 0.50000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.25000000 0.75000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.50000000 0.00000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.50000000 0.25000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.50000000 0.50000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.50000000 0.75000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.75000000 0.00000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.75000000 0.25000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.75000000 0.50000000 </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">
0.75000000 0.75000000 0.75000000</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">end kpoints</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">begin atoms_frac</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">Si -0.25
0.75 -0.25</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">Si
0.00 0.00 0.00</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">end atoms_frac</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> </span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">begin unit_cell_cart</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> bohr</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">-5.10
0.00 5.10</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt"> 0.00 5.10
5.10</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">-5.10
5.10 0.00</span></p>
<p class="ydpc21521b2MsoNormal" align="left" style="margin-left: 18pt; background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span lang="EN-US" style="font-size:10.0pt;font-family:Helvetica,sans-serif;mso-bidi-font-family:宋体;color:black;mso-font-kerning:0pt">end unit_cell_cart</span></p></div><br></div></div></div></div></body></html>