Respected Dr. P. Blaha, Thank you for your reply. I tried to reproduce the effective U for NiO according to the procedure given in the textbook section of wien2k.at. I computed the value of U=0.09 Ry, which is much less than as mentioned in notes where U=0.438 Ry. I think some mistake may be done in modifying the various files like in1, in2 and inc etc. I have attached the separate file containing these modified files and the procedure to calculate U. Please shed a light on this. I shall be thankful to you for your kindness.Thanks & RegardsSohan
Effective_U.pdf
Description: Adobe PDF document
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