No dvscf files created!

[eliephys78]

Dear all,

i am trying to reproduce the MgB2 example in EPW. When i run the phonons (ph.x), only the dynamical files and the first dvscf file (MgB2.dvscf1). My ph. in input is:

&inputph
prefix = 'MgB2',
fildyn = 'MgB2.dyn',
amass(1) = 24.305,
amass(2) = 10.811,
outdir = '/fefs1/physics/eamoujaes/MgB2/phonons/OUT'
ldisp = .true.,
trans = .true.,
fildvscf = 'dvscf',
nq1=2,
nq2=2,
nq3=2,
tr2_ph = 1.0d-14
/

When i use pp.py, only the dyn files are collected and i get an error:

Enter the prefix used for PH calculations (e.g. diam)
MgB2
Enter the number of irreducible q-points
28
cp: cannot stat `_ph0/MgB2.dvscf1': No such file or directory
cp: cannot stat `_ph0/MgB2.phsave': No such file or directory
cp: cannot stat `_ph0/MgB2.q_2/MgB2.dvscf1': No such file or directory
.
.
.
.
Regards

[sponce]

Dear eliephys78,

The python script is agnostic to your ph input file.

Try cp the content of you OUT directory into the current one or re-run the ph with

Code: Select all

&inputph
prefix = 'MgB2',
fildyn = 'MgB2.dyn',
amass(1) = 24.305,
amass(2) = 10.811,
outdir = './'
ldisp = .true.,
trans = .true.,
fildvscf = 'dvscf',
nq1=2,
nq2=2,
nq3=2,
tr2_ph = 1.0d-14
/

[ashwmk]

I'm trying to run the SiC test and I seem to be running into the same problem, only I haven't specified an output directory in the input file to ph.x. I understand the output should default to './' which in my case is the tests/Inputs/t02 folder. The .dyn files, etc. are successfully created, just not the .dvscf files. The ph.in is in its unmodified form:

Code: Select all

--
&inputph
  prefix   = 'sic'
  fildvscf = 'dvscf'
  ldisp    = .true
  fildyn   = 'sic.dyn'
  nq1=3,
  nq2=3,
  nq3=3,
  tr2_ph   =  1.0d-12
 /

[sponce]

Dear ashwmk,

The phonon code ph.x should create the dvscf files. Try to locate where they are.

Maybe try to add
outdir = './'

to your input file. It should not make a difference I guess if its the default value but worth trying.

Best,

Samuel