[QE-users] Fail to generate my pseudopotential

wangzongyi at mail.ustc.edu.cn wangzongyi at mail.ustc.edu.cn
Sat Feb 17 03:05:39 CET 2024


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, I write 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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