[Wien] localization of Mn t2g orbital

[shamik chakrabarti]

Dear Peter Blaha Sir,

                                        As given in user guide of WIEN2k we
can apply LSDA+U method for say Mn d orbital by putting the value of lorb=2
in case.inorb file. But if we want to localize only Mn d t2g orbital while
excluding eg orbital explicitly then what we should have to do?..as it  may
be necessary to apply LSDA+U method only to t2g orbital for getting ground
state of some compound.

with best regards,

Shamik Chakrabarti
M.Tech
IIT Kharagpur
India
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