[QE-users] wfck2r.x

[Lorenzo Paulatto]

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
> 
> 
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-- 
Lorenzo Paulatto - Paris