Re: [Wien] Wien2k_16.1

To me, it seems that the error could likely be due to a buggy Intel compiler version. Which is something the WIEN2k community knows about from past experience. For example, the post [1]. What ifort version did you use to compile WIEN2k 16.1 (e.g., the version should be given by terminal

[Wien] Mulliken populatin

Dear Prof. Peter and other expert user Could you please tell me where is the Mullikens population printed of how we can get it from Wien2k out files? Sincerely Bhamu ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at

[Wien] FOURIR2 - Error

Dear Wien2k users, I want to minimization the atomic position of oxide based material, in which, i follow the procedure like init_lapw run_lapw -fc 1 then in the force conversion criteria, it gives the error like (i am using Wien2k 16.1 version) *ec cc and fc_conv 1 1 0in cycle 6ETEST: