[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
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Email: vegalew at gmail.com
Office: Room A705, Technical Innovation Building, Xinmofan Road 5#, Nanjing,
Jiangsu, China
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