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:
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
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Regards
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:1xulrxd2]&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
/
[/code:1xulrxd2]
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:16dm2yjq]–
&inputph
prefix = ‘sic’
fildvscf = ‘dvscf’
ldisp = .true
fildyn = ‘sic.dyn’
nq1=3,
nq2=3,
nq3=3,
tr2_ph = 1.0d-12
/[/code:16dm2yjq]