[Wien] LDA+U

علاء عبد الحميد aladin331 at gmail.com
Sun Mar 4 14:43:54 CET 2012


Dears developer and subscribers
I tried to calculate the LDA+U for Er.
I statrt with spin polrized
then jcontso Er
-spin orbital
-dm
-orb

after the scf has finishe I calculated the band structure and the DOS for
SPIN-UP only.
I can't do them for SPIN-DOWN
 the proplem may be in the case.in1.
please advice me how can I calculate the SPIN-DOWN

thanks in advance
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