[Wien] FOR is not printed at the end of each iteration in SCF file

shamik chakrabarti 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,

with regards,
Shamik Chakrabarti
Senior Research Fellow
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
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