Dear Wien2k users, I am running force optimization of a spinel compound using MSR1a scheme. However, after each iteration we are only able to find FGL component of force & not the force component in local coordinate system (FOR). I have checked the SCF file & only FGL is written at the end of each iteration while "FOR" is not written. what could be the problem?
Thanks in advance, with regards, -- Shamik Chakrabarti Senior Research Fellow Dept. of Physics & Meteorology Material Processing & Solid State Ionics Lab IIT Kharagpur Kharagpur 721302 INDIA
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