Hello again The problem still at the level of LAPW2 program.
I have tried to do the calculation of the example of Ni , there is no problem in initialization but i found the error when doing SCF calculation when i obtained this message: regabdou@algerien1970-Dell:~/WIEN2k/Ni-ferro$ runsp_lapw hup: Command not found. STOP LAPW0 END STOP LAPW1 END STOP LAPW1 END STOP LAPW2: semicore band-ranges too large (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error > stop error -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Algerie
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