[Pw_forum] error in davcio during restart calculations
Sergey Lisenkov
proffess at yandex.ru
Fri Oct 15 18:24:50 CEST 2004
Dear Stefano and Eyvaz,
Thank you very much for your help. Stefano: I changed my k-points (2 1 1) to (4 1 1). So, as you explained, it is OK. If I understand you properly, I should NOT specify option:
restart_mode='restart',
but Should USE
restart_mode='from_scratch',
and
startingpot ="file"
Am I right?
Thanks a lot,
Best wishes,
Sergey
More information about the Pw_forum
mailing list