Dear All Users,<br> I was trying to calculate the el-ph coupling.And I followed just as the example 07 did.<br> First I run a dense scf calculation and then a scf calculation.<br> Sencond I run the phonon calculation and it got error message.<br>
I attached the input of mine and the error message below.Although
from the error message I thought there should be DV file written down.Can any one help me what I was doing wrong.In addition, the error happened just the ph.x run just started.<br> Please someone give me some advise about this.<br>
<br><br><br>Have a nice day<br><br>Deng Pan<br>Nanjing University<br><br>
<a href="http://elph.in/" target="_blank">elph.in</a><br> MgB2-elph<br>&inputph<br> amass(1)= 24.3,<br> amass(2)= 10.8,<br> prefix='MgB2'<br> tr2_ph=1.0d-14,<br> alpha_mix(1)=0.5,<br> iverbosity=1,<br> fildyn='/MgB2/elph/test/MgB2.dyn',<br>
<div id=":10e" class="ii gt">
outdir='/tmp1/',<br> ldisp=.true,<br> trans=.true,<br> elph=.true.<br> nq1=4,nq2=4,nq3=4,<br> fildvscf='/MgB2/elph/test/MgB2dv'<br> /<br><br>and the error message<br> task # 3<br> from phq_readin : error # 1<br>
El-ph needs a DeltaVscf file<br></div>