[Wien] muffin tin approximation

林 Lin nilnish5 at yahoo.com.tw
Wed May 5 18:51:02 CEST 2004


Dear all
 I would like to know how to use Wien2k to calculate
muffin-tin potential self-consistently.
 I need the spherical part of potentials inside the
muffin-tin spheres as well as the first term of Vk
(constant energy shift) in interstitial region. I
tried to modify case.in2 such that only L=0 M=0 left.
But this removed non-spherical part of charge density
and all the fourier components of Vk were still there.


Hsin
 



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