[Pw_forum] Pt pseudopotential from atomic code

Sergey Lisenkov proffess at yandex.ru
Wed Jul 20 08:39:33 CEST 2005


Dear PWscf users,

 I try to generate Pt pseudopotential using ld1.x code and example which is given in atomic_doc as test. This example with rel = 2 option (fully relativistic). I switch to rel=1 (scalar relativistic) and got the error: 'strange occupations'. What should I change in the input file else?

 Thanks,
   Best wishes,
     Sergey




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