[QE-users] Why do I get the message no atomic wavefunctions in pseudopotential?

[NAIMI SALMA]

Dear experts,

I tried to run 'vc-relax' calculation using NC pseudopotentials on CuI for GGA+U, but I got the following message in the output :


    Any further DFT definition will be discarded

     Please, verify this is what you really want


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine offset_atom_wfc (1):
     no atomic wavefunctions in pseudopotential file for species # 1
use a pseudopotential file with atomic wavefunctions!
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...



Dear experts, you will find attached  my input file.
How can I fix this problem please!













------------------------------------------------------------
Salma NAIMI
PhD student - Mohamed 5 University-Rabat

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