[Pw_forum] How to use the parameters orbj_in and orbj_fin in calculation in pwcond.x
Wang Qinjing
041019019 at fudan.edu.cn
Wed Jan 14 14:48:50 CET 2009
Dear all:
I'd like to calculate the transmission of some special orbital. In the INPUT_PWCOND.html I was told there are two parameters orbj_in and orbj_fin as follows:
================
orbj_in REAL
the initial orbital for projecting the transmission
orbj_fin REAL
the final orbital for projecting the transmission
============
But what value can I set for these two parameters? What do they mean? Are they related to the transmission of some special orbital?
Thank you in advance
Cheers
Wang
------------------------------------
王秦镜,复旦大学物理系研究生
Wang Qinjing, Physics Department,
Fudan University
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