[Pw_forum] The spin–orbit coupling

[Eyvaz Isaev]

Hi,

You can do that if generate  a fully-relativistic pseudopotential using ld1.x 
code (or have it).

Please provide your affiliation.

Bests,
Eyvaz.

 -------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, 
Sweden 

Theoretical Physics Department, Moscow State Institute of Steel & Alloys, 
Russia, 

isaev at ifm.liu.se, eyvaz_isaev at yahoo.com




________________________________
From: reza sarhaddi <reza.sarhaddi at yahoo.com>
To: pw_forum at pwscf.org
Sent: Thu, April 7, 2011 5:42:25 PM
Subject: [Pw_forum] The spin–orbit coupling


Dear all,

How can the spin–orbit coupling take into account in calculations?
do exist any parameter in input file? 

Regards,
Reza


      
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