[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
en@zeus.theochem.tuwien.ac.at>; ????: [Wien] Antiferromagnetic LDA+U calculation error indm file not found 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 div