[QE-users] Fail to generate my pseudopotential

[Paolo Giannozzi]

It is a problem of some old versions of gfortran.

Paolo

On 17/02/2024 03:05, wangzongyi via users wrote:
> Dear all
> 
> I am trying to generate my pseudopotential under the guide of QE's website
> 
> *https://dalcorso.github.io/pslibrary/pslibrary_help.html.*
> 
>   I first print   '*./configure*' under the directory of
> 
> */public3/home/scg9084/wzy/qe-6.6*
> 
>   after the program is finished, I entered    '*make dir*'  ,however, 
> the program shows
> 
> Error: Assumed-shape array 'zmat' at (1) cannot be an argument to the 
> procedure 'c_loc' because it is not C interoperable
> 
> xmltools.f90:797.18:
> 
>         cp = c_loc(zvec)
> 
>                    1
> 
> Consequently, Iwrite the path of the main QE directory in the file 
> *QE_path*, after that ,I enter pbe file and print
> 
> *. ../make_ps*
> 
> but after a few moments, I gained an empty pseudopotential file
> 
> What happened?Could you please help me?
> 
> Thank you very much
> 
> Your since
> 
> Zongyi Wang
> 
> .
> 
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216