[Pw_forum] Pt pseudopotential from atomic code

[Sergey Lisenkov]

Dear Andrea and other Espresso authors and users,

I generated a Pt PsP using the first configuration (the second one was failed with error 'strange occupations'). After that I tried to test this pseudopotential, but got the next error:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from read_pseudo_header : error #         1
     unknown pseudo type
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
STOP 2

The header of PsP is printed:

<PP_INFO>
Generated using Andrea Dal Corso code (rrkj3)                                   
Author: Andrea Dal Corso   Generation date: unknown                             
Info:Pt                                                                         
    1        The Pseudo was generated with a Scalar-Relativistic Calculation
  2.60000000000E+00    Local Potential cutoff radius
nl pn  l   occ               Rcut            Rcut US             E pseu
5D  3  2  8.00      2.10000000000      2.40000000000      0.00000000000
5D  3  2  0.00      2.10000000000      2.40000000000      0.00000000000
6P  2  1  0.00      3.30000000000      3.30000000000      0.00000000000
6S  1  0  2.00      2.60000000000      2.60000000000      0.00000000000
</PP_INFO>


<PP_HEADER>
   0                   Version Number
                       Element
   US                  Ultrasoft pseudopotential
    T                  Nonlinear Core Correction
 SLA  PW   PBE  PBE    PBE  Exchange-Correlation functional
   10.00000000000      Z valence
  -52.93790096200      Total energy
  0.0000000  0.0000000 Suggested cutoff for wfc and rho
    2                  Max angular momentum component
 1277                  Number of points in mesh
    2    3             Number of Wavefunctions, Number of Projectors
 Wavefunctions         nl  l   occ
                       5D  2  8.00
                       6S  0  2.00
</PP_HEADER>


<PP_MESH>
....


What is a problem?

 Thanks,
   Sergey