Dear Users, In QE, the usual first step is testing PP and ecutwfc I did it the same for bulk structure of a compound and followed further calculations
?May i consider the same value of ecutoff for mono or bilayers of the same compound as i am considering the same pseudo potential This testing is required for pp or for structure Sohail KKU Saudi -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120716/23d8c881/attachment.htm
