[Pw_forum] doubt in occupations

2008-07-26 Thread Padmaja Patnaik
http://www.democritos.it/pipermail/pw_forum/attachments/20080726/10a6f250/attachment.htm

[Pw_forum] Electron-phonon interaction coefficients

2008-07-26 Thread Axel Kohlmeyer
On Sat, 26 Jul 2008, Mozahar Ali wrote: MA> Dear Sir, MA> MA> To calculate E-P interaction coefficients I am in a problem.The MA> problem is that the output results show that"can not remap grid on MA> k-point list".What can I do now?please give me some suggestions to MA> solve this. please c

[Pw_forum] cg (Paolo Umari)

2008-07-26 Thread um...@democritos.it
Dear Mansoureh this messages reports the fact that during a single cg minimizationstep, the lowest energy which is found is that which corresponds to the trial step. If this happens close to convergence it can be ignored. Regards, Paolo Umari > > Dear all > I am running

[Pw_forum] Electron-phonon interaction coefficients

2008-07-26 Thread Mozahar Ali
iends http://uk.messenger.yahoo.com -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080726/fc1b6c34/attachment.htm