[QE-users] how to get data.save for yambo code using qe-6.3
foudil zaabar
foufou191085 at hotmail.fr
Sat Nov 17 14:48:10 CET 2018
dear all
can any one help me to know how to get data.save for yambo code using qe-6.3
i want to calculat scf and nscf using qe-6.3, to get the data base ""prefix.save "" for yambo calculation but
i have got only the wavefunction without the k points (eigenvalues)
i used the following flags in the control namelist
for scf
&CONTROL
calculation = 'scf',
pseudo_dir = '/local/funsilab/karim/foud/outil',
restart_mode='from_scratch',
prefix='mose2',
outdir = './test',
etot_conv_thr = 1.0D-6
verbosity = 'high' ,
#### for nscf###""
/
calculation = 'nscf',
pseudo_dir = "/local/funsilab/karim/foud/outil",
restart_mode='from_scratch',
prefix='mose2',
outdir = './test',
etot_conv_thr = 1.0D-6
wf_collect= .true.
verbosity = 'high' ,
############
knowing, that i have used the same input for qe-5.4.0 but have gote the point k and the wavefunction
best regards
zaabar foudil
university of bejaia
algeria
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