[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



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