[Wien] Spin Orbit

Javad Hashemifar s_javad at yahoo.com
Wed Mar 24 17:33:17 CET 2004


dear Wien2k Users,
I would like to study the spin orbit correction to my system. Based on UG it
should be done in this way:
1.run[sp]_lapw
2.save_lapw case nrel
3.initso_lapw
4.run[sp]_lapw -so
my question is that last step should be run up to proper convergency or just
one iteration is enough (however DIS jumps!!)
Thanks in advance

Best regards,
Javad Hashemifar

=====
-------------------------------------------------------------------------------
Javad Hashemifar                                      phone : ++49-30-8413 4804
Permanent : Physics Department, Isfahan University of Technology, Isfahan, Iran
Current : Fritz-Haber-Institut der MPG, Faradayweg 4-6, D-14195 Berlin, Germany
e-mails:  hashemi at fhi-berlin.mpg.de          &          hashemifar at ph.iut.ac.ir
-------------------------------------------------------------------------------

__________________________________
Do you Yahoo!?
Yahoo! Finance Tax Center - File online. File on time.
http://taxes.yahoo.com/filing.html




More information about the Wien mailing list