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<p><font face="Helvetica, Arial, sans-serif">Dear Naseem Hassan,</font></p>
<p><font face="Helvetica, Arial, sans-serif">If you specify cell
dimensions with celldm(*), the units are a.u., not angstroms,
independently from the units </font><font face="Helvetica,
Arial, sans-serif"><font face="Helvetica, Arial, sans-serif">
(which probably should not be inserted in </font><font
face="Helvetica, Arial, sans-serif"><font face="Helvetica,
Arial, sans-serif">curly brackets) </font></font>used in
ATOMIC_POSITIONS</font><font face="Helvetica, Arial, sans-serif">.
Note also that if you specify ATOMIC_POSITIONS crystal you do
not need to convert the data from the CONTCAR coordinates. On
the other hand, if you write ibrav=0 the cell dimensions must be
given with keyword CELL_PARAMETERS, not with celldm(*).<br>
</font></p>
<p><font face="Helvetica, Arial, sans-serif">JC Conesa</font><br>
</p>
<div class="moz-cite-prefix">El 16/02/2019 a las 14:53, Naseem
Hassan escribió:<br>
</div>
<blockquote type="cite"
cite="mid:CAAKjmuvs5inAx=2OqKTJpaH9SQ-PBWnvjFO4ryR6mCs5zpsEYQ@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr">
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">Dear
All !<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">Would
be grateful if somebody can help in converting VASP
CONTCAR file to Quantum Espresso input file. I have already
tried using ibrav=0
and ibrav=6 but getting error. I am attaching down below both
CONTCAR and my
attempted input file. Kindly point out mistake wherever
possible<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">………………………………………<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">VASP
input file<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">……………………………………..<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">Vasp-file<span>
</span><span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>1.00000000000000<span> </span><span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>2.8656953877140658<span>
</span>0.000000<span> </span>0.00000<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.000000<span> </span>2.8656953954702842<span> </span>0.00000<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.000000<span> </span>0.00000<span>
</span>14.5687674940416922<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>**<span> </span>**<span>
</span>** <span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>5<span> </span>3<span>
</span>3<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">Direct<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.0000192692689512<span>
</span>0.0000193149041301 -0.0253111824898425<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.5000071502138721<span>
</span>0.5000071328622521<span> </span>0.0658904911888835<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.0000006585860885<span>
</span>0.0000005834590312<span>
</span>0.1666816777950017<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.5000045513131905<span>
</span>0.5000044294604946<span>
</span>0.2674877725929466<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.0000141020522640<span>
</span>0.0000139458087178<span>
</span>0.3586520540557601<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.4999949082703968<span>
</span>0.4999943883341108<span>
</span>0.5110114048024905<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.0000029386433817<span> </span>0.0000030412347271<span>
</span>0.6666640608352582<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.5000007705108729<span>
</span>0.5000013733071873<span>
</span>0.8222013593108685<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span> </span>-0.0000107135629075
-0.0000110927390669<span> </span>0.5146809763675351<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.4999845524255632<span>
</span>0.4999846220443415<span>
</span>0.6666859792830676<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span> </span>-0.0000061006705978
-0.0000056516248497<span> </span>0.8186883904105440<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span> </span><span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.00000000E+00<span> </span>0.00000000E+00<span> </span>0.00000000E+00<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.00000000E+00<span> </span>0.00000000E+00<span> </span>0.00000000E+00<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.00000000E+00<span> </span>0.00000000E+00<span> </span>0.00000000E+00<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.00000000E+00<span> </span>0.00000000E+00<span> </span>0.00000000E+00<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.00000000E+00<span> </span>0.00000000E+00<span> </span>0.00000000E+00<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.00000000E+00<span> </span>0.00000000E+00<span> </span>0.00000000E+00<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.00000000E+00<span> </span>0.00000000E+00<span> </span>0.00000000E+00<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.00000000E+00<span> </span>0.00000000E+00<span> </span>0.00000000E+00<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.00000000E+00<span> </span>0.00000000E+00<span> </span>0.00000000E+00<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.00000000E+00<span> </span>0.00000000E+00<span> </span>0.00000000E+00<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>0.00000000E+00<span> </span>0.00000000E+00<span> </span>0.00000000E+00<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">…………………………………………….<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">Quantum
Espresso Input File<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">…………………………………………….<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">&CONTROL<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">calculation='vc-relax'<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">title='zQ'<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">prefix='zQ'<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">verbosity='high'<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">restart_mode='from_scratch'<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">nstep=1000<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">iprint=1<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">tprnfor=.true.<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">outdir='./'<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">disk_io='default'<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">tstress=.true.<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">pseudo_dir
= './'<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">wf_collect=.true.,<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">!
forc_conv_thr=1.0d-4<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">!
etot_conv_thr=1.0d-5<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">/<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">&SYSTEM<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">ibrav
= 6,<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">celldm(1)
= 3,<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">celldm(3)=<span>
</span>5.2,<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">nat
= 11,<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">ntyp
= 3,<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>nspin= 2<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">ecutwfc
= 50.0 ,<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">ecutrho
= 250.0 ,<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">!
input_DFT = 'PBE' ,<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">occupations
= 'smearing' ,<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">degauss
= 0.005 ,<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">smearing
= 'methfessel-paxton' ,<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>starting_magnetization(1) = 0.1<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>vdw_corr='Grimme-D2'<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>lda_plus_u =
.true. <span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span>
</span>Hubbard_U(1) =
3.0d0<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">/<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">&ELECTRONS<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">electron_maxstep
= 100,<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">!
conv_thr = 1.0d-10 ,<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">mixing_mode
= 'plain' ,<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">!
mixing_beta = 0.3d0 ,<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">/<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">&IONS<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">ion_dynamics='bfgs'<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">!
upscale=100<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">/<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">&CELL<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">!
press_conv_thr = 0.5D0<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">!
press = 0.D0<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">!
cell_dynamics = 'bfgs',<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">!
cell_dofree = '2Dxy'<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">!
cell_factor = 1.5D0<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">/<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">ATOMIC_SPECIES
<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">**<span>
</span><span> </span>**<span>
</span>**.UPF<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">**<span>
</span>**<span> </span>**.UPF<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">**<span>
</span>**<span> </span>**.UPF<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">ATOMIC_POSITIONS<span>
</span>{Angstrom}<span> </span><span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">**<span>
</span>0.000055<span> </span>0.000055<span>
</span>14.200015<span> </span><span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">**<span>
</span>1.432868<span> </span>1.432868<span>
</span>0.959943<span> </span><span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">**<span>
</span>0.000000<span> </span>0.000000<span>
</span>2.428347<span> </span><span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">**<span>
</span>1.432861<span> </span>1.432860<span>
</span>3.896967<span> </span><span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">**<span>
</span>0.000040<span> </span>0.000040<span>
</span>5.225119<span> </span><span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">**<span>
</span>1.432833<span> </span>1.432832<span>
</span>7.444807<span> </span><span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">**<span>
</span>0.000008<span> </span>0.000009<span>
</span>9.712474<span> </span><span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">**<span>
</span>1.432850<span> </span>1.432852<span>
</span>11.978460<span> </span><span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">**<span>
</span>-0.000031<span> </span>-0.000032<span>
</span>7.498268<span> </span><span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">**<span>
</span>1.432804<span> </span>1.432804<span>
</span>9.712793<span> </span><span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">**<span>
</span>-0.000017<span> </span>-0.000016<span>
</span>11.927280<span> </span><span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">K_POINTS
automatic<span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">5
5 1 0 0 0</p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><br>
</p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">Best
Regards</p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif">Naseem</p>
<br>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri",sans-serif"><span></span></p>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<pre class="moz-quote-pre" wrap="">_______________________________________________
users mailing list
<a class="moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>
<a class="moz-txt-link-freetext" href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a></pre>
</blockquote>
<pre class="moz-signature" cols="72">--
José C. Conesa
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie 2, Cantoblanco
28049 Madrid, Spain
Tel. (+34)915854766</pre>
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