[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
More information about the users
mailing list