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- Tue Jul 11, 2017 5:17 pm
- Forum: Ground state
- Topic: U determination for oxygen monoclinic ?
- Replies: 0
- Views: 1539
U determination for oxygen monoclinic ?
Hello, I am a beginner on the use of abinit. I try to determine the Hubbard term of oxygen by using O.LDA_PW-JTH.xml to perform LDA+U calculations but I get an error that is as follows : first without variable chkprim --- !ERROR message: | According to the symmetry finder, the unit cell is NOT primi...