[Pw_forum] non collinear magnetism

[Rudra Banerjee]

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

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----- Original Message ----
From: Rudra Banerjee <bnrj.rudra at yahoo.com>
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            




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