ABINIT Discussion Forums

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...

Hi, I was having some issues with SCF cycle convergence. Therefore, I set iprcel value to 45. But this in fact increase the memory requirements by multiple folds and the job aborted with out of memory error. Can anyone suggest if there is any way to reduce the memory requirement and get the SCF cycl...