[QE-users] how to get data.save for yambo code using qe-6.3

[Manu Hegde]

You should use wf_collect= true for scf calculations. make sure you have
g-vectors saved in your output. Follow this tutorial,
http://www.yambo-code.org/wiki/index.php?title=First_steps:_a_walk_through_from_DFT_to_optical_properties

HTH,
Manu

On Sat, Nov 17, 2018 at 5:48 AM foudil zaabar <foufou191085 at hotmail.fr>
wrote:

> 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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