ABINIT Discussion Forums

Posted: **Mon Oct 11, 2010 8:39 am**

Hello,

Thankyou for your answer to my previous question,now i have written the input to calculate polarization of bifeo3 but when i run it there is error like this:
Error opening pseudopotential file ../Psps_for_tests/8o.paw
i have tried another pseudopotention for it but i have error again.
please help me,which pseudopotentin i have to choose?
Thankyou verry much.

Posted: **Tue Oct 12, 2010 12:32 pm**

What directory are you running from? It looks like "../Psps_for_tests/8o.paw" doesn't point to where the pseudopotential actually is. Make sure your file of file names contains pseudopotential names that point to the right place.

ABINIT Discussion Forums

what is the best pseudopotential for oxyzen atom?

what is the best pseudopotential for oxyzen atom?

Re: what is the best pseudopotential for oxyzen atom?