[Wien] How to calculate orbital moment and HFF?

Bin Shao binshao1118 at gmail.com
Thu May 6 14:19:20 CEST 2010


Dear Lyudmila Dobysheva,

Thank you for your advice.

It's my fault and I adopt your suggestion.

Fe.inso
---------------------------------------------------------------------------
WFFIL
 4  1  0                      llmax,ipr,kpot
 -10.0000   1.50000           emin,emax (output energy window)
   0.  0.  1.                 direction of magnetization (lattice vectors)
 0                           number of atoms for which RLO is added
 0 0 0 0 0                    number of atoms for which SO is switch off;
atoms
---------------------------------------------------------------------------


-- 
Bin Shao
College of Information Technical Science, Nankai University
94 Weijin Rd. Nankai Dist. Tianjin 300071, China
Email: binshao1118 at gmail.com
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