[Pw_forum] Factor M in electron-phonon coupling matrix element

2014-05-17 Thread Sridhar Sadasivam
? Is it the total mass of the unit cell? Thanks, Sridhar Purdue University -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140517/65f22cc8/attachment.html

[Pw_forum] Conergence Delay

2014-05-17 Thread Elliot Menkah
Hello Everyone, I have this relax calculation running on 16 cores. Its been running for the past 73 days. Below is the status of the job when i open the output file. Can anyone please help me understand the interpretation as to when it would converge. Especially the non-human-readable iteration

[Pw_forum] Pseudopotential combination

2014-05-17 Thread Elliot Menkah
e Nkrumah University of Science and Technology (KNUST), Private Mail Bag, Kumasi, Ghana. Mobile:+233-243-055-717,+233-202-929-058 Alt. Email: elliotsmenkah at gmail.com elliotsmenkah at hotmail.com webpage: http://archive.knust.edu.gh/pages/sections.php?siteid=chemistry=806=2754 -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140517/9ae87dc0/attachment.html

[Pw_forum] Pseudopotential combination

2014-05-17 Thread Elliot Menkah
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[Pw_forum] Pseudopotential combination

2014-05-17 Thread Axel Kohlmeyer
Centre for Theoretical Physics, Trieste. Italy. -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140517/0dfe4ed4/attachment.html

[Pw_forum] R: Pw_forum Digest, Vol 82, Issue 16

2014-05-17 Thread Tommy
Thanks a lot to Prof. Matteo Cococcioni and Pang Rui for your tips! - Messaggio originale - Da: pw_forum-request at pwscf.org Inviato: 16/05/2014 12:03 A: pw_forum at pwscf.org Oggetto: Pw_forum Digest, Vol 82, Issue 16 Send Pw_forum mailing list submissions to pw_forum at