[Pw_forum] convergence

[Emine Kucukbenli]

Hello Bhabya Darsan,

> but at the end the warning comes to reduce conv-threshold
> shall there may be some modification to the file

Yes this is exactly the modification you need:
Reduce the convergence threshold conv_thr.
The force threshold you are using is the default 1d-3
You should not expect precise forces when the energy is calculated  
almost within
the same precision.

Also, this issue was previously discussed in the mailing list:
http://www.democritos.it/pipermail/pw_forum/2009-March/012104.html

cheers
emine kucukbenli, phd student, sissa, italy