[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
-----------------------------------------------------------------
每天都 Yahoo!奇摩
海的顏色、風的氣息、愛你的溫度,盡在信紙底圖
http://tw.promo.yahoo.com/mail_premium/stationery.html
More information about the Wien
mailing list