[Pw_forum] nscf calculation

Sergey Lisenkov proffess at yandex.ru
Sat Feb 12 16:57:38 CET 2005


Dear PWscf users and authors,

I performed a scf calculation of a system (36 atoms). After that I tried to perform a nscf calculation (for DOS calculation). I used 'tetrahedra' method for occupations and automatic generation of k-points (400 1 1 0 0 0). I did not use the 'restart' option, but I got:

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #        34
     from davcio : error #         0
     i/o error in davcio
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

What is wrong in my case?
  Sergey



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