[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090115/91d19f2a/attachment.html>
More information about the users
mailing list