[Wien] core hole
波 康
wientwok at yahoo.com.cn
Wed Jul 11 14:51:36 CEST 2007
Dear wien users,
Recently, when I calculated the EELS , I wanted to add a core hole in my calculation. Accounting to the Manual, I added the core hole after scf and before calculation of the spectra. But someone tell me , I should add the core hole after initialization and before scf. I don't know which method of adding an core hole is right?
Any reply will be appreciated!
Best wishes!
BoKang
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Mp3疯狂搜-新歌热歌高速下
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