Dear all, I am facing a problem in GGA+U calculation as I am using it for the first time in w2k . The GGA+U DOS results are seems strange . The results are quite different from the PWSCF DOS while the GGA results are very similar in both PWSCF and W2K calculation. I am not sure whether I have done it correctly or not. Any help would be highly appreciated . Here I am attaching the following files case.inorb, case.indm,case.outputorbup,case.outputorbdn.
Kind Regards Paresh Chandra Rout Research Scholar Indian Institute of Science Education and Research, Bhopal
Bi2FeIrO6_GGA_Cal.inorb
Description: Binary data
Bi2FeIrO6_GGA_Cal.outputorbup
Description: Binary data
Bi2FeIrO6_GGA_Cal.outputorbup
Description: Binary data
Bi2FeIrO6_GGA_Cal.indmc
Description: Binary data
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