No dvscf files created!
Posted: Tue Jun 14, 2016 5:40 am
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
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