[Wien] Too large orbital polarization with orbital polarization
potential Vop And Total energy of easy axis and hard axis is reversed
!!
yasuharu_shiraishi at fujifilm.co.jp
yasuharu_shiraishi at fujifilm.co.jp
Tue Sep 6 04:04:22 CEST 2005
Dear Gerhard,
Thank you!!
I always check charge convergence,
But I think I should consider about orbital polarization more.
I will continue MAE calculation with orbital polarization potential Vop,
And I should also investigate other parameter like charge convergence
again.
Sorry, Please tell me reference of KKR-ASA calculation.
Best regard.
More information about the Wien
mailing list