i am a new user of espresso i want to optimise my structure (orthorombhic pnma ) but the optimisation takes 30 steps still it is not relaxed material=PtAl2 what should i look into?
sahu b resrch scholar mumbai -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120120/bb3db534/attachment.htm
