[QE-users] wfck2r.x

[Zahra Torbatian]

Thanks for your responses.



On Thu, Jul 5, 2018 at 7:00 PM, Lorenzo Paulatto <paulatz at gmail.com> wrote:

> Hello,
> the input is very simple: it just takes a namelist like this:
>  &inputpp
>    prefix='MgB2',
>    outdir='./tmp',
>  /
> Use the same prefix and outdir as the scf calculation. A file called
> $prefix.wfc_r1 will be created in outdir with the wavefuctions in real
> space. The code should also print on screen the dimension of the grid and
> of the wavefunctions, the format varies a bit depending on the version.
>
> You can specify more variables in the namelist, from what I can guess by
> checking the code, it supports at this moment:
> Already discussed:
> * tmp_dir
> * prefix
>
> To select a subset of the k-points and bands (write everything by default):
> * first_k
> * last_k
> * first_band
> * last_band
>
> To create a file that is readable by matlab (false by default):
> lmatlab
>
>
> hth
>
>
>
>
> On 05/07/18 09:43, Zahra Torbatian wrote:
>
>> Dear all,
>>
>> How can I use wfck2r.x? Does it need any input file
>> I have not found any sample input for  wfck2r.x.
>>
>> Thanks in advance
>>
>> Zahra
>> IPM, Tehran, Iran
>>
>>
>> _______________________________________________
>> users mailing list
>> users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>
>>
> --
> Lorenzo Paulatto - Paris
>
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