[Pw_forum] Fw: How to use the parameters orbj_in and orbj_fin in calculation in pwcond.x

Wang Qinjing 041019019 at fudan.edu.cn
Thu Jan 15 13:51:00 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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