[Wien] Problems with velocity calculations

2016-06-29 Thread Gregory Sergeev
Dear all, the purpose of my calculations is to get dE/dk of charge carriers for specific band number in point (x,y,z). For this after common wien calculations I use two methods (I do calculations for Bi2Te3 in symmetric point (x,x,x)): 1. I create klist file with points with coordinates:

[Wien] symmetso failed

2016-03-21 Thread Gregory Sergeev
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 w