[Wien] Reg: SO caluclations
shwetha.gummula at gmail.com
Wed Mar 19 11:43:00 CET 2014
Dear Prof. Peter Blaha, and wien2k users,
I am doing So calculations for spin polarized system, While
initializing so calculations (initso_lapw) it will ask for the kpoints, i
gave 500 kpoints and proceeded for the calculations. The calculations are
completed without any error, if i want to increase the k points to 1000 do
i have to use x kgen and continue from the existing calculations (by -NI)
or i have to initialize once again. I tried with x kgen but i observed by
using x kgen and by the initso_lapw it is giving two different IBZ values
in case.klist file. Is both the procedures are same?
And also where i can get the orbital magnetic moment?
can anyone help me regarding this?
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