[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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