Thanks Dr Assmann for your quick reply I repetad the calculation and I same problem and I want to note that I modified the optimization script as follows:
runsp_c_lapw -orb -o -ec 0.0001 Perhaps it's related to the use of "runsp_c_lapw " because it's the first time I used it I want to know if it's just a remark or an error. Best regards -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Algerie
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