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by choi90
Sat Jul 23, 2022 4:37 am
Forum: Running the code
Topic: Error in fildvscf with Hubbard U correction.
Replies: 1
Views: 364

Error in fildvscf with Hubbard U correction.

I need to calculate the system with Hubbard U correction. So, I put the Hubbard code in scf file as below. lda_plus_u = .TRUE. lda_plus_u_kind = 0 Hubbard_U(1) = 3 Hubbard_U(2) = 0 Then I run ph.x with ph.in file with "fildvscf = 'dvscf'", because of later EPW calculation, like "dvscf_dir = './save'...