Dear WIEN 2K users and Prof Blaha, We are doing EOS calculations (Energy versus Volume) of a late transition series element using spin orbit (SO) interaction. There is no problem upto 25% compression, but beyond this compression the energy value suddenly drops to a very low value. When we checked the corresponding SCF file, we found that the scf file has converged and there is no warning in the scf file, but "TOTAL VALENCE CHARGE INSIDE UNIT CELL" is not equal to "NUMBER OF ELECTRONS". Please note that in the calculations without spin orbit interaction there is no such problem for the same system. I would like to mention that I have gone through the related previous questions and their answers on registered users site. I will be highly obliged if you could kindly spare some time to help me in this problem. ---Vinayak
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