help: two questions to Mr.Matthias Krack and Mr Jeremy Rabone
mohamed khuili
khuili... at gmail.com
Mon Apr 14 03:42:15 UTC 2014
thank you sir for the answer
I applied this on Zinc as you told me, it is based on the test file dft_plus
-U and ORBITALS -2 -1 0 1 2;
i cant run a smearing of the f-orbital occupations was enforced,
"WARNING in dft_plus_u:mulliken :: DFT+U energy contibution ..."
-how I can solve my problem?
My greetings
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