[Wien] symmetso failed

Gregory Sergeev sgregory at live.ru
Mon Mar 21 15:56:33 CET 2016


Dear all,

I try to run SO calculation with external magnetic field (orb nmod=3). Error occurs in symmetso when I run initso_lapw. I discovered that this bug is in inorbch, vorbch and indmch (this functions work only for orb nmod=1, I think). If I comment calls of this functions symmetso works without bugs, but *.inorb_so, *.vorb*_so and *.indm_so files are empty. Is there fix of this error?

I really appreciate any help you can provide.
 
 - Gregory

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