one more question.....on the example 13 , to calculate non collinearity, we have either total magnetization or the angle fixed. what if i want to do a full noncollinear calculation?
-- Rudra JRF; SNBNCBS http://www.bose.res.in/~rudra A bus station is where a bus stops. A train station is where a train stops. On my desk I have a work station. Please, if possible, don't send me MS Word or PowerPoint attachments Why?See: http://www.gnu.org/philosophy/no-word-attachments.html ----- Original Message ---- From: Rudra Banerjee <[email protected]> To: PWSCF Forum <pw_forum at pwscf.org> Sent: Monday, 24 March, 2008 2:50:27 PM Subject: non collinear magnetism Dear friends, can anyone give me some theoretical detais about non collinear calculation using pwscf? i have checked example 13 and also a note by Ralph Gebauer but didnt quite understand some points like "penalty functional"; how to set its value. it will be great help for me if anybody can provide me some reference on that thnx -- Rudra JRF A bus station is where a bus stops. A train station is where a train stops. On my desk I have a work station.. http://www.bose.res.in/~rudra Please, if possible, don't send me MS Word or PowerPoint attachments Why?See: http://www.gnu.org/philosophy/no-word-attachments.html 5, 50, 500, 5000 - Store N number of mails in your inbox. Click here. Get the freedom to save as many mails as you wish. To know how, go to http://help.yahoo.com/l/in/yahoo/mail/yahoomail/tools/tools-08.html -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080324/707d7d38/attachment.htm
