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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