[Wien] Antiferromagnetic LDA+U calculation error indm file not found

2015-10-24 Thread saurabh singh
Dear all, I am doing antiferromagnetic calculation using LDA+U for ZnV2O4 compound using WIEN2K14.2 version installed in cluster. It has 8 Vanadium atom in the unit cell. therefore I divide it into two group 4 vanadium atom to V1 spin dn and 4 vanadium atom to V2 spin up. Simple LDA calculation

[Wien] ?????? Antiferromagnetic LDA+U calculation error indm file not found

2015-10-24 Thread ding
Dear saurabh, Maybe you should copy the case.indm to case.indmc. Mingcui -- -- ??: "saurabh singh";; : 2015??10??24??(??) 8:35 ??: "wien"; :