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<p>Hi it should be fixed in the develop version and in the new
release which should eventually be ready. <br>
</p>
<p><br>
</p>
<p>in the meantime you can try to download the current release
candidate from this link. <br>
</p>
<p><a class="moz-txt-link-freetext" href="https://gitlab.com/QEF/q-e/-/archive/qe-6.6rc/q-e-qe-6.6rc.tar.gz">https://gitlab.com/QEF/q-e/-/archive/qe-6.6rc/q-e-qe-6.6rc.tar.gz</a></p>
<p>Pietro<br>
</p>
<div class="moz-cite-prefix">On 04/08/20 07:12, Zeeshan Ahmad wrote:<br>
</div>
<blockquote type="cite"
cite="mid:46D191D1-8762-49B8-9443-80BA252D7346@cmu.edu">
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
Hi,
<div class=""><br class="">
</div>
<div class="">I ran a ph.x and pw.x calculation on a ibrav=-13
system. When I run the q2r.x in the directory, I got the
following error:</div>
<div class=""><br class="">
</div>
<div class="">
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class=""> Error
in routine latgen (13):</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
wrong celldm(3)</span></div>
</div>
<div class=""><br class="">
</div>
<div class="">After a little printing stuff inside the file
Modules/latgen.f90, I found that the control is going to
ibrav=13 (with celldm(3)<0.d0) and not ibrav=-13 as I
specified in the scf.in file. I wonder if this has to do with
the recent change of lattice vectors for ibrav=-13 in the 6.5
version since the pw.x and ph.x do not give any error.</div>
<div class=""><br class="">
</div>
<div class="">Here are the input scf, ph and q2r input files for
reproducing.</div>
<div class=""><br class="">
</div>
<div class="">scf.in</div>
<div class=""><br class="">
</div>
<div class="">
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">&CONTROL</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
title = 'Li2CO3'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
calculation = 'scf'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
restart_mode = 'from_scratch'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
outdir = './scf1'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
pseudo_dir =
'/home/azeeshan/pseudopot/all_pbe_UPF_v1.5'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
prefix = 'Li2CO3'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
disk_io = 'low'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
verbosity = 'default'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
etot_conv_thr = 0.00001</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
forc_conv_thr = 0.0001</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
nstep = 400</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
tstress = .true.</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
tprnfor = .true.</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class=""> /</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class=""> &SYSTEM</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
ibrav = -13</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
celldm(1) = 15.795917182</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
celldm(2) = 0.595028736 </span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class=""><span class="Apple-tab-span" style="white-space:pre"> </span>
celldm(3) = 0.7409843951</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
celldm(5) = 0.4192777936</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
nat = 12</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
ntyp = 3</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
ecutwfc = 60</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
ecutrho = 600</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class=""> /</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class=""> &ELECTRONS</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
electron_maxstep = 200</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
conv_thr = 1.0D-11</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
diago_thr_init = 1e-4</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
startingpot = 'atomic'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
startingwfc = 'atomic'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
mixing_mode = 'plain'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
mixing_beta = 0.5</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
mixing_ndim = 8</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
diagonalization = 'david'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class=""> /</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">&IONS</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
ion_dynamics = 'bfgs'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class=""> /</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo; min-height: 13px;"
class=""><span style="font-variant-ligatures:
no-common-ligatures" class=""></span><br class="">
</div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">ATOMIC_SPECIES</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
Li 7.016003437 li_pbe_v1.4.uspp.F.UPF</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
C 12.0107000000 c_pbe_v1.2.uspp.F.UPF
</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
O 15.9994000000 o_pbe_v1.2.uspp.F.UPF </span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo; min-height: 13px;"
class=""><span style="font-variant-ligatures:
no-common-ligatures" class=""></span><br class="">
</div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">ATOMIC_POSITIONS
crystal</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">Li
0.75080411 0.35557873 0.16417001</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">Li
0.64442127 0.24919589 0.66417001</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">Li
0.35557873 0.75080411 0.33582999</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">Li
0.24919589 0.64442127 0.83582999</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">C
0.93252757 0.93252757 0.75</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">C
0.06747243 0.06747243 0.25</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">O
0.67497784 0.67497784 0.75</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">O
0.32502216 0.32502216 0.25</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">O
0.21140108 0.91630278 0.687171</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">O
0.08369722 0.78859892 0.187171</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">O
0.91630278 0.21140108 0.812829</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">O
0.78859892 0.08369722 0.312829</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo; min-height: 13px;"
class=""><span style="font-variant-ligatures:
no-common-ligatures" class=""></span><br class="">
</div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">K_POINTS
automatic</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">8
8 6 0 0 0</span></div>
</div>
<div class=""><span style="font-variant-ligatures:
no-common-ligatures" class="">——————————————————————————————————</span></div>
<div class="">ph.in</div>
<div class=""><br class="">
</div>
<div class="">
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">Li2CO3
phonon dispersion</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">&INPUTPH</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
prefix = 'Li2CO3'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
tr2_ph = 1.0d-14</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
ldisp = .true.</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
nq1 = 2</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
nq2 = 2</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
nq3 = 2</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
outdir = './scf1'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
fildyn = 'Li2CO31.dyn'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
amass(1) = 7.016003437</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">
amass(2) = 12.0107000000</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class=""><span class="Apple-tab-span" style="white-space:pre"> </span>amass(3)
= 15.9994000000</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">!<span class="Apple-tab-span" style="white-space:pre"> </span>recover
= .true.</span></div>
<div style="margin: 0px; font-stretch: normal; font-size: 11px;
line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures" class="">/</span></div>
</div>
<div class=""><span style="font-variant-ligatures:
no-common-ligatures" class="">——————————————————————————————————</span></div>
<div class=""><span style="font-variant-ligatures:
no-common-ligatures" class="">
<div style="margin: 0px; font-stretch: normal; font-size:
11px; line-height: normal; font-family: Menlo;" class="">q2r.in</div>
<div style="margin: 0px; font-stretch: normal; font-size:
11px; line-height: normal; font-family: Menlo;" class=""><br
class="">
</div>
<div style="margin: 0px; font-stretch: normal; font-size:
11px; line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures"
class="">&input</span></div>
<div style="margin: 0px; font-stretch: normal; font-size:
11px; line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures"
class=""><span class="Apple-tab-span" style="white-space:pre"> </span>fildyn
= 'Li2CO31.dyn'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size:
11px; line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures"
class=""><span class="Apple-tab-span" style="white-space:pre"> </span>zasr
= 'crystal'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size:
11px; line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures"
class=""><span class="Apple-tab-span" style="white-space:pre"> </span>flfrc
= 'Li2CO31.fc'</span></div>
<div style="margin: 0px; font-stretch: normal; font-size:
11px; line-height: normal; font-family: Menlo;" class=""><span
style="font-variant-ligatures: no-common-ligatures"
class="">/</span></div>
<div class=""><span style="font-variant-ligatures:
no-common-ligatures" class="">——————————————————————————————————</span></div>
</span></div>
<div class=""><br class="">
</div>
<div class=""><br class="">
</div>
<div class="">Thanks,</div>
<div class="">-Zeeshan<br class="">
<div class="">
<div style="color: rgb(0, 0, 0); letter-spacing: normal;
orphans: auto; text-align: start; text-indent: 0px;
text-transform: none; white-space: normal; widows: auto;
word-spacing: 0px; -webkit-text-stroke-width: 0px;
word-wrap: break-word; -webkit-nbsp-mode: space;
-webkit-line-break: after-white-space;" class="">
<div style="color: rgb(0, 0, 0); letter-spacing: normal;
orphans: auto; text-align: start; text-indent: 0px;
text-transform: none; white-space: normal; widows: auto;
word-spacing: 0px; -webkit-text-stroke-width: 0px;
word-wrap: break-word; -webkit-nbsp-mode: space;
-webkit-line-break: after-white-space;" class="">
<div style="color: rgb(0, 0, 0); letter-spacing: normal;
orphans: auto; text-align: start; text-indent: 0px;
text-transform: none; white-space: normal; widows: auto;
word-spacing: 0px; -webkit-text-stroke-width: 0px;
word-wrap: break-word; -webkit-nbsp-mode: space;
-webkit-line-break: after-white-space;" class="">
<div style="color: rgb(0, 0, 0); letter-spacing: normal;
orphans: auto; text-align: start; text-indent: 0px;
text-transform: none; white-space: normal; widows:
auto; word-spacing: 0px; -webkit-text-stroke-width:
0px; word-wrap: break-word; -webkit-nbsp-mode: space;
-webkit-line-break: after-white-space;" class="">
<div style="color: rgb(0, 0, 0); letter-spacing:
normal; orphans: auto; text-align: start;
text-indent: 0px; text-transform: none; white-space:
normal; widows: auto; word-spacing: 0px;
-webkit-text-stroke-width: 0px; word-wrap:
break-word; -webkit-nbsp-mode: space;
-webkit-line-break: after-white-space;" class="">
<div style="color: rgb(0, 0, 0); letter-spacing:
normal; orphans: auto; text-align: start;
text-indent: 0px; text-transform: none;
white-space: normal; widows: auto; word-spacing:
0px; -webkit-text-stroke-width: 0px; word-wrap:
break-word; -webkit-nbsp-mode: space;
-webkit-line-break: after-white-space;" class="">
<div style="color: rgb(0, 0, 0); letter-spacing:
normal; orphans: auto; text-align: start;
text-indent: 0px; text-transform: none;
white-space: normal; widows: auto; word-spacing:
0px; -webkit-text-stroke-width: 0px; word-wrap:
break-word; -webkit-nbsp-mode: space;
-webkit-line-break: after-white-space;" class="">
<div style="color: rgb(0, 0, 0); letter-spacing:
normal; orphans: auto; text-align: start;
text-indent: 0px; text-transform: none;
white-space: normal; widows: auto;
word-spacing: 0px; -webkit-text-stroke-width:
0px; word-wrap: break-word; -webkit-nbsp-mode:
space; -webkit-line-break: after-white-space;"
class="">
<div style="color: rgb(0, 0, 0);
letter-spacing: normal; orphans: auto;
text-align: start; text-indent: 0px;
text-transform: none; white-space: normal;
widows: auto; word-spacing: 0px;
-webkit-text-stroke-width: 0px; word-wrap:
break-word; -webkit-nbsp-mode: space;
-webkit-line-break: after-white-space;"
class="">
<div style="color: rgb(0, 0, 0);
letter-spacing: normal; orphans: auto;
text-align: start; text-indent: 0px;
text-transform: none; white-space: normal;
widows: auto; word-spacing: 0px;
-webkit-text-stroke-width: 0px; word-wrap:
break-word; -webkit-nbsp-mode: space;
-webkit-line-break: after-white-space;"
class="">
<div style="color: rgb(0, 0, 0);
letter-spacing: normal; orphans: auto;
text-align: start; text-indent: 0px;
text-transform: none; white-space:
normal; widows: auto; word-spacing: 0px;
-webkit-text-stroke-width: 0px;
word-wrap: break-word;
-webkit-nbsp-mode: space;
-webkit-line-break: after-white-space;"
class="">
<div style="color: rgb(0, 0, 0);
letter-spacing: normal; orphans: auto;
text-align: start; text-indent: 0px;
text-transform: none; white-space:
normal; widows: auto; word-spacing:
0px; -webkit-text-stroke-width: 0px;
word-wrap: break-word;
-webkit-nbsp-mode: space;
-webkit-line-break:
after-white-space;" class="">
<div style="color: rgb(0, 0, 0);
letter-spacing: normal; orphans:
auto; text-align: start;
text-indent: 0px; text-transform:
none; white-space: normal; widows:
auto; word-spacing: 0px;
-webkit-text-stroke-width: 0px;
word-wrap: break-word;
-webkit-nbsp-mode: space;
-webkit-line-break:
after-white-space;" class="">
<div style="color: rgb(0, 0, 0);
letter-spacing: normal; orphans:
auto; text-align: start;
text-indent: 0px; text-transform:
none; white-space: normal; widows:
auto; word-spacing: 0px;
-webkit-text-stroke-width: 0px;
word-wrap: break-word;
-webkit-nbsp-mode: space;
-webkit-line-break:
after-white-space;" class="">
<div style="color: rgb(0, 0, 0);
letter-spacing: normal; orphans:
auto; text-align: start;
text-indent: 0px;
text-transform: none;
white-space: normal; widows:
auto; word-spacing: 0px;
-webkit-text-stroke-width: 0px;
word-wrap: break-word;
-webkit-nbsp-mode: space;
-webkit-line-break:
after-white-space;" class="">
<div class=""><font class=""
face="CMU Typewriter Text">--</font></div>
<div class=""><font class=""
face="CMU Typewriter Text">Zeeshan
Ahmad</font></div>
<div class=""><font class=""
face="CMU Typewriter Text">PhD
candidate, Mechanical
Engineering</font></div>
<div class=""><font class=""
face="CMU Typewriter Text">Carnegie
Mellon University</font></div>
</div>
</div>
<font class="" face="CMU Typewriter
Text"><a
href="http://www.andrew.cmu.edu/user/azeeshan/"
class="" moz-do-not-send="true">https://www.andrew.cmu.edu/~azeeshan/</a></font></div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
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</div>
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</div>
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</div>
<br class="">
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<pre class="moz-quote-pre" wrap="">_______________________________________________
Quantum ESPRESSO is supported by MaX (<a class="moz-txt-link-abbreviated" href="http://www.max-centre.eu/quantum-espresso">www.max-centre.eu/quantum-espresso</a>)
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>
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