[Pw_forum] How to create a new pseudo potential with virtual.x?

[Yue-Wen Fang]

Dear all,

   I want to create a new pesudo potential with virtual.x, but
error occurs. It shows  *different nqf are not implemented*,  but i don't
know to handle this problem and I am also puzzled by the words such as nqf
and nqls in the file virtual.f90 which locate at ~/espresso/upftools.
   If it is convenient for you, pls give me some advice to curb the problem.
   Thank you.

Regards
Y.-W. Fang

  The details are showed below:
   console  ~/Examples/pwscf/Ding0731/test1/virtual 09:56:41 >virtual.x

 Generate the UPF pseudopotential for a virtual atom
 combining two pseudopootentials in UPF format

  Input PP file #  1 in UPF format > F.pbe-n-van.UPF
  IOS=            0           1           4
  Reading pseudopotential file in UPF format...
 ikk2         525         525         525         525         525
525
           0           0           0           0           0           0
           0           0           0           0
  ...done

  Input PP file #  2 in UPF format > O.pbe-van_ak.UPF
  IOS=            0           2           4
  Reading pseudopotential file in UPF format...
 ikk2         525         525         525         525         525
525
           0           0         507         507         507         507
           0           0           0           0
  ...done

 New Pseudo = x F.pbe-n-van.UPF + (1-x) O.pbe-van_ak.UPF
 mixing parameter x [0<x<1] = 0.4
  pseudopotentials have different mesh
         799         737
  0.000000000000000E+000  0.000000000000000E+000
   206.066269763000        81.0552407574000
  pseudopotentials have different mesh
 INTERPOLATE = T
 interpolate rho_atc
  done
  interpolate vloc0
  interpolate betar
  interpolate betar
  interpolate betar
  interpolate betar

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from Virtual : error #         1
     different nqf are not implemented (yet)
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%%

     stopping ...
Fatal error; unknown error handler
May be MPI call before MPI_INIT.  Error message is MPI_COMM_RANK and code
is 197
Fatal error; unknown error handler
May be MPI call before MPI_INIT.  Error message is MPI_ABORT and code is 197
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source

virtual.x          000000000053C9DD  Unknown               Unknown  Unknown
virtual.x          000000000040FC51  errore_                    94
 error_handler.f90
virtual.x          000000000040BF61  compute_virtual_          312
 virtual.f90
virtual.x          00000000004050F4  MAIN__                    107
 virtual.f90
virtual.x          0000000000404C6A  Unknown               Unknown  Unknown
libc.so.6          0000003606A1C4BB  Unknown               Unknown  Unknown
virtual.x          0000000000404BAA  Unknown               Unknown  Unkn
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