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<p>It seems to converge just fine on my desktop pc.</p>
<p>I see that your outdir starts with /ccc, are you by any chance
running on the CEA Irene Rome AMD machine?</p>
<p>I had all kind of random bad results on it, compiling with eithe
ifort or nvfort (gfortran without mkl was fine but slow), to the
point that I just gave and only use Idris since.</p>
<p>hth<br>
</p>
<div class="moz-cite-prefix">On 28/08/2022 16:06, pboulet wrote:<br>
</div>
<blockquote type="cite"
cite="mid:3A68B79C-4E53-42A7-9B4B-AEE145DE2471@univ-amu.fr">
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
Bonjour Lorenzo,
<div class=""><br class="">
</div>
<div class="">Thank you for your help. </div>
<div class="">The problem appears right at q-point #2 and
representation #1.</div>
<div class=""><br class="">
</div>
<div class="">I have put an archive of the most important files at
this address (that hopefully help to reproduce/restart the
calculations):</div>
<div class=""><a
href="https://filesender.renater.fr/?s=download&token=759fb88f-1374-4029-bcb4-73d7c23d7975"
class="" moz-do-not-send="true">https://filesender.renater.fr/?s=download&token=759fb88f-1374-4029-bcb4-73d7c23d7975</a></div>
<div class=""><br class="">
</div>
<div class="">Here is also a more detailed summary of the output
file from ph.x.</div>
<div class=""><br class="">
</div>
<div class="">At the beginning of the output:</div>
<div class="">>>>>> </div>
<div class="">
<div class=""> Reading input from <a href="http://Mg2Si.in"
class="" moz-do-not-send="true">Mg2Si.in</a></div>
<div class=""><br class="">
</div>
<div class=""> Reading xml data from directory:</div>
<div class=""><br class="">
</div>
<div class=""> ./Mg2Si.save/</div>
<div class=""><br class="">
</div>
<div class=""> IMPORTANT: XC functional enforced from input
:</div>
<div class=""> Exchange-correlation= PBE</div>
<div class=""> ( 1 4 3 4 0
0 0)</div>
<div class=""> Any further DFT definition will be discarded</div>
<div class=""> Please, verify this is what you really want</div>
<div class=""><br class="">
</div>
<div class=""><br class="">
</div>
<div class=""> Parallelization info</div>
<div class=""> --------------------</div>
<div class=""> sticks: dense smooth PW G-vecs:
dense smooth PW</div>
<div class=""> Min 41 41 12
1225 1225 192</div>
<div class=""> Max 42 42 13
1229 1229 195</div>
<div class=""> Sum 1993 1993 583
58887 58887 9257</div>
<div class=""><br class="">
</div>
<div class=""> Using Slab Decomposition</div>
<div class=""><br class="">
</div>
<div class=""><br class="">
</div>
<div class=""> negative rho (up, down): 1.928E+00 0.000E+00</div>
<div class=""> Reading collected, re-writing distributed
wavefunctions</div>
</div>
<div class=""><br class="">
</div>
<div class="">
<div class=""> Saving dvscf to file. Distribute only q
points, not irreducible represetations.</div>
<div class=""> 7 / 8 q-points for this run, from 2 to
8:</div>
<div class=""> N xq(1) xq(2) xq(3)</div>
<div class=""> 1 0.000000000 0.000000000 0.000000000</div>
<div class=""> 2 -0.250000000 0.250000000 -0.250000000</div>
<div class=""> 3 0.500000000 -0.500000000 0.500000000</div>
<div class=""> 4 0.000000000 0.500000000 0.000000000</div>
<div class=""> 5 0.750000000 -0.250000000 0.750000000</div>
<div class=""> 6 0.500000000 0.000000000 0.500000000</div>
<div class=""> 7 0.000000000 -1.000000000 0.000000000</div>
<div class=""> 8 -0.500000000 -1.000000000 0.000000000</div>
<div class=""><br class="">
</div>
<div class=""><br class="">
</div>
<div class=""> Calculation of q = -0.2500000 0.2500000
-0.2500000</div>
<div class=""><br class="">
</div>
<div class=""> Bands found: reading from ./_ph0/Mg2Si.q_2/</div>
<div class=""><br class="">
</div>
<div class=""> Reading xml data from directory:</div>
<div class=""><br class="">
</div>
<div class=""> ./_ph0/Mg2Si.q_2/Mg2Si.save/</div>
<div class=""> Message from routine qexsd_readschema :</div>
<div class=""> input info not found or not readable in xml
file</div>
<div class=""><br class="">
</div>
<div class=""> IMPORTANT: XC functional enforced from input
:</div>
<div class=""> Exchange-correlation= PBE</div>
<div class=""> ( 1 4 3 4 0
0 0)</div>
<div class=""> Any further DFT definition will be discarded</div>
<div class=""> Please, verify this is what you really want</div>
<div class=""><br class="">
</div>
<div class=""><<<<<<<<<<</div>
<div class=""><br class="">
</div>
<div class="">Later in the output, that’s the q-point #2, where
ph.x fails:</div>
<div class="">>>>>></div>
<div class="">
<div class=""> Computing dynamical matrix for</div>
<div class=""> q = ( -0.2500000
0.2500000 -0.2500000 )</div>
<div class=""><br class="">
</div>
<div class=""> 6 Sym.Ops. (no q -> -q+G )</div>
</div>
<div class=""><<<<<</div>
<div class=""><br class="">
</div>
<div class="">Then, note that there is a lot of k-points for
this q-point…</div>
<div class="">>>>>>>>></div>
<div class="">
<div class=""> G cutoff = 1468.0362 ( 1226 G-vectors)
FFT grid: ( 60, 60, 60)</div>
<div class=""> number of k points= 816</div>
</div>
<div class=""><<<<<<<<</div>
<div class=""><br class="">
</div>
<div class=""><br class="">
</div>
<div class="">For the representations:</div>
<div class=""><br class="">
</div>
<div class="">>>>>>>>></div>
<div class="">
<div class=""> Representation 1 1 modes - To be
done</div>
<div class=""> Irreps are as follows:</div>
<div class=""><br class="">
</div>
<div class=""> mode # 1</div>
<div class=""> ( -0.57735 0.00000 )</div>
<div class=""> ( 0.57735 -0.00000 )</div>
<div class=""> ( -0.57735 -0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )</div>
<div class=""><br class="">
</div>
<div class=""> Representation 2 2 modes - To be
done</div>
<div class=""> Irreps are as follows:</div>
<div class=""><br class="">
</div>
<div class=""> mode # 2
mode # 3</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""> ( -0.09481 0.00000 )
( -0.81097 0.00000 )</div>
<div class=""> ( 0.65492 0.00000 )
( -0.48760 -0.00000 )</div>
<div class=""> ( 0.74973 0.00000 )
( 0.32338 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""><br class="">
</div>
<div class=""> Representation 3 1 modes - To be
done</div>
<div class=""> Irreps are as follows:</div>
</div>
<div class=""><br class="">
</div>
<div class="">
<div class=""> mode # 4</div>
<div class=""> ( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )</div>
<div class=""> ( -0.57735 0.00000 )</div>
<div class=""> ( 0.57735 0.00000 )</div>
<div class=""> ( -0.57735 -0.00000 )</div>
<div class=""><br class="">
</div>
<div class=""> Representation 4 2 modes - To be
done</div>
<div class=""> Irreps are as follows:</div>
<div class=""><br class="">
</div>
<div class=""> mode # 5
mode # 6</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""> ( -0.53501 0.00000 )
( -0.61679 0.00000 )</div>
<div class=""> ( -0.31285 0.53223 )
( -0.26906 -0.46166 )</div>
<div class=""> ( 0.22215 0.53223 )
( 0.34773 -0.46166 )</div>
<div class=""><br class="">
</div>
<div class=""> Representation 5 1 modes - To be
done</div>
<div class=""> Irreps are as follows:</div>
<div class=""><br class="">
</div>
<div class=""> mode # 7</div>
<div class=""> ( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )</div>
<div class=""> ( -0.57735 0.00000 )</div>
<div class=""> ( 0.57735 0.00000 )</div>
<div class=""> ( -0.57735 -0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )</div>
</div>
<div class=""><br class="">
</div>
<div class="">
<div class=""> Representation 6 2 modes - To be
done</div>
<div class=""> Irreps are as follows:</div>
<div class=""><br class="">
</div>
<div class=""> mode # 8
mode # 9</div>
<div class=""> ( -0.40825 0.00000 )
( -0.70711 0.00000 )</div>
<div class=""> ( -0.81648 0.00399 )
( -0.00001 -0.00230 )</div>
<div class=""> ( -0.40824 0.00399 )
( 0.70710 -0.00230 )</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""> ( 0.00000 0.00000 )
( 0.00000 0.00000 )</div>
<div class=""><br class="">
</div>
<div class=""><br class="">
</div>
<div class=""> PHONON : 7.65s CPU 11.31s
WALL</div>
<div class=""><br class="">
</div>
<div class=""><br class="">
</div>
<div class=""><br class="">
</div>
<div class=""> Representation # 1 mode # 1</div>
<div class=""><br class="">
</div>
<div class=""> Self-consistent Calculation</div>
<div class=""> kpoint 5 sternheimer_kernel: root not
converged, thresh < 2.227E+03</div>
<div class=""> kpoint 6 sternheimer_kernel: root not
converged, thresh < 1.393E+11</div>
<div class=""> kpoint 13 sternheimer_kernel: root not
converged, thresh < 1.425E+04</div>
<div class=""> kpoint 14 sternheimer_kernel: root not
converged, thresh < 1.223E+11</div>
<div class=""> kpoint 21 sternheimer_kernel: root not
converged, thresh < 1.368E+10</div>
</div>
<div class="">…</div>
<div class="">
<div class=""> kpoint 198 sternheimer_kernel: root not
converged, thresh < 2.098E+11</div>
<div class=""> kpoint 200 sternheimer_kernel: root not
converged, thresh < 4.597E+03</div>
<div class=""> kpoint 203 sternheimer_kernel: root not
converged, thresh < 3.231E+11</div>
<div class=""><br class="">
</div>
<div class=""> iter # 17 total cpu time : 77.1 secs
<a href="http://av.it" class="" moz-do-not-send="true">av.it</a>.:
35.1</div>
<div class=""> thresh= 1.000E-02 alpha_mix = 0.100
|ddv_scf|^2 = 2.286E+37</div>
<div class=""> kpoint 5 sternheimer_kernel: root not
converged, thresh < 7.024E-01</div>
<div class=""> kpoint 6 sternheimer_kernel: root not
converged, thresh < 5.781E+13</div>
<div class=""> kpoint 7 sternheimer_kernel: root not
converged, thresh < 2.895E+07</div>
<div class=""> kpoint 12 sternheimer_kernel: root not
converged, thresh < 3.097E+06</div>
</div>
<div class="">…</div>
<div class="">
<div class=""> iter # 18 total cpu time : 212.6 secs
<a href="http://av.it" class="" moz-do-not-send="true">av.it</a>.:
83.3</div>
<div class=""> thresh= 1.000E-02 alpha_mix = 0.100
|ddv_scf|^2 = 4.537E+41</div>
<div class=""> kpoint 5 sternheimer_kernel: root not
converged, thresh < 2.236E+14</div>
<div class=""> kpoint 6 sternheimer_kernel: root not
converged, thresh < 3.750E+00</div>
<div class=""> kpoint 7 sternheimer_kernel: root not
converged, thresh < 7.790E+14</div>
<div class=""> kpoint 13 sternheimer_kernel: root not
converged, thresh < 3.059E+10</div>
<div class=""> kpoint 14 sternheimer_kernel: root not
converged, thresh < 1.581E+18</div>
<div class=""> kpoint 21 sternheimer_kernel: root not
converged, thresh < 3.527E+19</div>
</div>
<div class="">…</div>
<div class=""><<<<<<<<<<<</div>
<div class=""><br class="">
</div>
<div class="">If more information is needed, please ask me.</div>
<div class=""><br class="">
</div>
<div class="">Best,</div>
<div class="">Pascal</div>
<div class=""><br class="">
</div>
<div class=""><br class="">
</div>
<div><br class="">
<blockquote type="cite" class="">
<div class="">Le 28 août 2022 à 10:21, Lorenzo Paulatto <<a
href="mailto:lorenzo.paulatto@cnrs.fr"
class="moz-txt-link-freetext" moz-do-not-send="true">lorenzo.paulatto@cnrs.fr</a>>
a écrit :</div>
<br class="Apple-interchange-newline">
<div class="">
<meta http-equiv="Content-Type" content="text/html;
charset=UTF-8" class="">
<div class="">
<p class="">Bonjour Pascal,</p>
<p class="">on which representation of which q-point
does this happen?<br class="">
</p>
<p class="">The first rep of q-point 2 seems to converge
perfectly fine on my PC.<br class="">
</p>
<p class="">I'd try to reproduce, but I would rather
avoid repeating all the points.</p>
<p class="">cheers<br class="">
</p>
<div class="moz-cite-prefix">On 27/08/2022 17:57,
pboulet wrote:<br class="">
</div>
<blockquote type="cite"
cite="mid:1E45A54A-47B3-4660-8841-7BD6D23E4E21@univ-amu.fr"
class=""> Dear all,
<div class=""><br class="">
</div>
<div class="">I am encountering the problem mentioned
in the subject of this post.</div>
<div class=""><br class="">
</div>
<div class="">Do you know to solve this problem?</div>
<div class=""><br class="">
</div>
<div class="">I am running ph.x on Mg2Si (not a big
deal!) with NC pseudopotentials from dojo website.</div>
<div class="">I have optimized the structure, then ran
a SCF with 60 k-points.</div>
<div class=""><br class="">
</div>
<div class="">Here is the input for ph.x:</div>
<div class="">
<div class="">Mg2Si Phonon</div>
<div class="">&inputph</div>
<div class=""> verbosity = 'high',</div>
<div class=""> alpha_mix(1)= 0.1,</div>
<div class=""> tr2_ph = 1.0d-12,</div>
<div class=""> diagonalization = 'cg',</div>
<div class=""> prefix = 'Mg2Si',</div>
<div class=""> ldisp = .true.,</div>
<div class=""> epsil = .true.,</div>
<div class=""> lqdir = .true.,</div>
<div class=""> search_sym = .false.</div>
<div class=""> fildyn = 'Mg2Si.dyn.xml',</div>
<div class=""> fildvscf = 'dvscf'</div>
<div class=""> recover = .true.,</div>
<div class=""> start_q = 2, last_q = 8,</div>
<div class=""> nq1=4, nq2=4, nq3=4,</div>
<div class="">/</div>
</div>
<div class=""><br class="">
</div>
<div class="">and a sample of the output:</div>
<div class="">
<div class="">iter # 41 total cpu time : 5901.1
secs <a href="http://av.it/" class=""
moz-do-not-send="true">av.it</a>.: 210.4</div>
<div class=""> thresh= 1.000E-02 alpha_mix =
0.100 |ddv_scf|^2 = 1.350+100</div>
<div class=""> kpoint 3 sternheimer_kernel:
root not converged, thresh < 3.699E+06</div>
<div class=""> kpoint 4 sternheimer_kernel:
root not converged, thresh < 2.570E+03</div>
<div class=""> kpoint 5 sternheimer_kernel:
root not converged, thresh < 1.322E+43</div>
<div class=""> kpoint 6 sternheimer_kernel:
root not converged, thresh < 4.836E+01</div>
<div class=""> kpoint 7 sternheimer_kernel:
root not converged, thresh < 2.110E-01</div>
<div class=""> kpoint 12 sternheimer_kernel:
root not converged, thresh < 2.237E+25</div>
<div class=""> kpoint 13 sternheimer_kernel:
root not converged, thresh < 1.420E+01</div>
<div class=""> kpoint 14 sternheimer_kernel:
root not converged, thresh < 1.199E+21</div>
<div class=""> kpoint 15 sternheimer_kernel:
root not converged, thresh < 6.741E+07</div>
<div class=""> kpoint 18 sternheimer_kernel:
root not converged, thresh < 8.917E+00</div>
</div>
<div class=""><br class="">
</div>
<div class="">Note that the calculation ran fine for
the Gamma point, so in the present run I ‘recovered’
for k-points 2 to 8. </div>
<div class=""><br class="">
</div>
<div class="">The input file for the SCF calculation
is:</div>
<div class="">
<div class="">&CONTROL</div>
<div class=""> title = 'Mg2Si',</div>
<div class=""> calculation = 'scf',</div>
<div class=""> etot_conv_thr = 1d-9,</div>
<div class=""> tprnfor = .true.,</div>
<div class=""> tstress = .true.,</div>
<div class=""> restart_mode = 'restart',</div>
<div class=""> verbosity = 'high',</div>
<div class=""> prefix = 'Mg2Si',</div>
<div class=""> wf_collect = .true.,</div>
<div class="">/</div>
<div class="">&SYSTEM</div>
<div class=""> ibrav = 2,</div>
<div class=""> celldm(1) = 12.037d0,</div>
<div class=""> nat = 3,</div>
<div class=""> ntyp = 2,</div>
<div class=""> ecutwfc = 100.d0,</div>
<div class=""> ecutrho = 400.d0,</div>
<div class=""> occupations = 'fixed',</div>
<div class=""> nbnd = 20,</div>
<div class="">/</div>
<div class="">&ELECTRONS</div>
<div class=""> conv_thr = 1d-12,</div>
<div class=""> mixing_beta = 0.2d0,</div>
<div class="">/</div>
<div class="">ATOMIC_SPECIES</div>
<div class="">Mg 24.3 Mg.upf</div>
<div class="">Si 28.1 Si.upf</div>
<div class=""><br class="">
</div>
<div class="">ATOMIC_POSITIONS crystal</div>
<div class="">Si 0.000000000 0.000000000
0.000000000</div>
<div class="">Mg 0.250000000 0.250000000
0.250000000</div>
<div class="">Mg 0.750000000 0.750000000
0.750000000</div>
<div class=""><br class="">
</div>
<div class="">K_POINTS automatic</div>
<div class="">8 8 8 1 1 1</div>
</div>
<div class=""><br class="">
</div>
<div class="">Thank you for your help and time.</div>
<div class="">Best regards,</div>
<div class="">Pascal</div>
<div class=""><br class="">
</div>
<div class="">.<br class="">
<div class="">
<div dir="auto" style="caret-color: rgb(0, 0, 0);
letter-spacing: normal; text-align: start;
text-indent: 0px; text-transform: none;
white-space: normal; word-spacing: 0px;
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none; word-wrap: break-word; -webkit-nbsp-mode:
space; line-break: after-white-space;" class="">
<div class=""><font class="" size="4"
face="Brush Script MT">Pascal Boulet</font></div>
<div class=""><span style="font-size: 21px;
font-family: "Lucida
Handwriting";" class="">—</span></div>
<div class=""><em class="" style="color: rgb(34,
187, 234); font-family: verdana; font-size:
11px; line-height: 22px;">Professor in
computational materials chemistry -
DEPARTMENT OF CHEMISTRY</em></div>
<div class="">
<div class="" style="font-family: Tahoma,
Verdana, Arial, Helvetica, sans-serif;
font-size: 15px; line-height: 22px;"><span
class="" style="font-size: 11px;
font-family: verdana;">University of
Aix-Marseille </span><span class=""
style="font-size: 11px; font-family:
verdana;">- Avenue Escadrille Normandie
Niemen - F-13013 Marseille - FRANCE</span></div>
<div class="" style="font-family: Tahoma,
Verdana, Arial, Helvetica, sans-serif;
font-size: 15px; line-height: 22px;"><span
class="" style="font-size: 11px;
font-family: verdana;">Tél: +33(0)4 13 55
18 10 - Fax : +33(0)4 13 55 18 50</span></div>
<div class=""><font class="" face="Verdana"><span
style="font-style: normal; font-size:
11px;" class=""><font class=""><span
class="" style="line-height: 22px;">Email : </span></font><font
class="" color="#22bbea"><span
style="line-height: 20px;" class=""><a
href="mailto:pascal.boulet@univ-amu.fr" class="moz-txt-link-freetext"
moz-do-not-send="true">pascal.boulet@univ-amu.fr</a></span></font></span></font></div>
<div class=""><font class="" face="verdana"
color="#22bbea"><br class="">
</font></div>
</div>
</div>
<br class="Apple-interchange-newline">
<br class="Apple-interchange-newline">
</div>
<br class="">
</div>
<br class="">
<fieldset class="moz-mime-attachment-header"></fieldset>
<pre class="moz-quote-pre" wrap="">_______________________________________________
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</blockquote>
<div class="moz-signature">-- <br class="">
<small class="">Dr. Lorenzo Paulatto<br class="">
IdR @ IMPMC - CNRS UMR 7590 & Sorbonne
Université<br class="">
phone: +33 (0)1 442 79822 / skype: paulatz<br
class="">
<a href="http://www.impmc.upmc.fr/~paulatto/"
class="moz-txt-link-freetext"
moz-do-not-send="true">http://www.impmc.upmc.fr/~paulatto/</a>
- <a href="https://anharmonic.github.io/"
class="moz-txt-link-freetext"
moz-do-not-send="true">https://anharmonic.github.io/</a><br
class="">
23-24/423 B115, 4 place Jussieu 75252 Paris CX 05</small></div>
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<lt-container class=""></lt-container>
_______________________________________________<br
class="">
The Quantum ESPRESSO community stands by the Ukrainian<br
class="">
people and expresses its concerns about the devastating<br
class="">
effects that the Russian military offensive has on their<br
class="">
country and on the free and peaceful scientific, cultural,<br
class="">
and economic cooperation amongst peoples<br class="">
_______________________________________________<br
class="">
Quantum ESPRESSO is supported by MaX (<a
href="http://www.max-centre.eu" class=""
moz-do-not-send="true">www.max-centre.eu</a>)<br
class="">
users mailing list <a
href="mailto:users@lists.quantum-espresso.org"
class="moz-txt-link-freetext" moz-do-not-send="true">users@lists.quantum-espresso.org</a><br
class="">
<a
href="https://lists.quantum-espresso.org/mailman/listinfo/users"
class="moz-txt-link-freetext" moz-do-not-send="true">https://lists.quantum-espresso.org/mailman/listinfo/users</a></div>
</blockquote>
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<br class="">
<br class="">
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<pre class="moz-quote-pre" wrap="">_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (<a class="moz-txt-link-abbreviated" href="http://www.max-centre.eu">www.max-centre.eu</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>
</blockquote>
<div class="moz-signature">-- <br>
<small>Dr. Lorenzo Paulatto<br>
IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Université<br>
phone: +33 (0)1 442 79822 / skype: paulatz<br>
<a href="http://www.impmc.upmc.fr/~paulatto/"
class="moz-txt-link-freetext">http://www.impmc.upmc.fr/~paulatto/</a>
- <a href="https://anharmonic.github.io/"
class="moz-txt-link-freetext">https://anharmonic.github.io/</a><br>
23-24/423 B115, 4 place Jussieu 75252 Paris CX 05</small></div>
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