[Wien] fixed spin moment calculation in MSRa1 mode

kadda AMARA kamaraphy at gmail.com
Sat Sep 10 19:11:41 CEST 2022


hi
I am trying to performe the structural optimization of  the AFM magnetic
order of some A2BX6 vaccancy-ordred double perovskites systems
with Wien2k_21.1 compiled with intel compilers
the fsm calculation in MSR1a mode seems to not work, instead it run as MSR1
mode althought the MSR1a mode is enabled ( case.inm)
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