[Pw_forum] a question for projwfc.x

vega lew quantumdft at gmail.com
Mon Jan 19 13:50:33 CET 2009


Dear all,

in input file description of projwfc.x, it's said that the code could
identify the different contribution of Px, Py and Pz, or D sub orbitals.

I wonder if there is a literature describe the algorithm and the  physical
meaning in detail.

thank you for reading

vega
-- 
==================================================================================
Vega Lew ( weijia liu)
PH.D Candidate in Chemical Engineering
State Key Laboratory of Materials-oriented Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
******************************************************************************************************************
Email: vegalew at gmail.com
Office: Room A705, Technical Innovation Building, Xinmofan Road 5#, Nanjing,
Jiangsu, China
******************************************************************************************************************
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090119/bc74109e/attachment.html>


More information about the users mailing list