Dear Blaha sir and users
Will anyone tell me to increase the number of scf cycles as my system does not
get converged in 40 scf steps (default)
thanks
a s verma
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
<http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20111104/58e967db/attachment.htm>
- [Wien] change in default scf cycles AJAY SINGH VERMA
- [Wien] change in default scf cycles Ghosh SUDDHASATTWA

