[Wien] Problem when running LSDA + U
Souraya GOUMRI-SAID
goumri-said at univ-paris12.fr
Mon Jun 18 16:14:33 CEST 2007
Dear Saha,
I have examined you input files case.inorbc and case.indmc. The intrduced
data about orbitals and atoms are correct.
You have two solutions :
1- Try in the bigining to use only case.inorb and case.indm ( without c)
2- If you still have the same pb, try to run you LDA+U calculation without -
p. Sometimes parallel running doesn't work with AFM and LDA+U calculations.
I hope it will hel you,
regards,
souraya,
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