Did you initialize with the "-sp" (spin-polarized) option ?
Did you run properly init_orb -orb ?
What is in the error files ?
Am 27.09.2023 um 09:10 schrieb Murat Aycibin:
Hi
I am trying to perform LiCoO2 calculation using hubbard methods. when
ı wanna do SCF run ı am using runsp_lapw -orb or runsp_c_lapw -orb and
ı am getting error. and error says scf1up. no such file... what should
ı do?
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Yrd Doc Dr. Murat Aycibin
Van Yuzuncu Yil Universitesi
Fizik Bolumu
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