[Wien] Is k-point optimization is independent on Spin-Polarization

[shamik chakrabarti]

Dear wien2k users,

           We are running k-point optimization of an alloy doped with
foreign 3d element. However, we have not included spin-polarization for
this k-point optimization, as the system contains 56 number of atoms and
adding spin polarization will double the computational time. Now, my query
is, whether or not adding spin-polarization may affect the value of optimum
k-point?

If yes, then whether the optimum number of k-points will become higher or
lower with addition of spin polarization?...Whether there is any theory or
concept which can guess this answer or we merely have to depend on the
computational data & may be different for different materials?

Any response in this regard will be appreciated.

with regards,

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