[Pw_forum] Differences between single-projector & multiple-projector and their physics

Yue-Wen Fang yuewen.fang at gmail.com
Tue Jan 8 09:34:51 CET 2013


*Question*: When using *ld1.x *to generate pseudopotential(PP) in QE, I
cannot understand the *exact differences* between single-projector &
multiple-projector. What's the physical content of single & multiple
projector?

*The details i have known are listed below.*
1. If i stick to single-projector PP's, then one potential per angular
momentum  l.
2. Multiple-projector PP's is correct for UltroSoft pseudization while
sigle-projector PP's is used for Norm-Conserving pseudization

Best Regards!


-- 
------------------------------------------------------------------------------------------------------------
Yue-Wen FANG, PhD candidate
Key Laboratory of Polar Materials and Devices, Ministry of
Education<http://clpm.ecnu.edu.cn/>
East China Normal University <http://www.ecnu.edu.cn/english/>
Phone: +86-18321726131
I will persist until I succeed!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20130108/0b8fc9d5/attachment.html>


More information about the users mailing list