[Wien] FOR is not printed at the end of each iteration in SCF file
shamikphy at gmail.com
Tue Aug 19 14:12:13 CEST 2014
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,
Senior Research Fellow
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
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