[Pw_forum] problem about DeltaVscf file missing

潘登 panda.deng.pan at gmail.com
Mon May 18 10:34:20 CEST 2009


Dear All Users,
     I was trying to calculate the el-ph coupling.And I followed just as the
example 07 did.
    First I run a dense scf calculation and then a scf calculation.
    Sencond I run the phonon calculation and it got error message.
    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.
    Please someone give me some advise about this.



Have a nice day

Deng Pan
Nanjing University

elph.in
 MgB2-elph
&inputph
  amass(1)= 24.3,
  amass(2)= 10.8,
  prefix='MgB2'
  tr2_ph=1.0d-14,
  alpha_mix(1)=0.5,
  iverbosity=1,
  fildyn='/MgB2/elph/test/MgB2.dyn',
  outdir='/tmp1/',
  ldisp=.true,
  trans=.true,
  elph=.true.
 nq1=4,nq2=4,nq3=4,
  fildvscf='/MgB2/elph/test/MgB2dv'
 /

and the error message
     task #         3
     from phq_readin : error #         1
     El-ph needs a DeltaVscf file
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090518/da409548/attachment.html>


More information about the users mailing list