Of course it is possible. First perform the scf -> bands -> pdos calculation. In the second step you have to use crystal_b or tpiba_b for the K_POINTS. In the third step remember to write the projection information to a text file. I remember that there is one corresponding flag, but cannot recall right now. Consult INPUT_PROJWFC.html for more details.
In this file the projection of each energy level at each k-point is stored in a well-organized way. You may need a simple fortran or python program, or simply the awk command to extract the projection information for given band. Yunhai Li, Southeast University, P.R.C. Date: Fri, 7 Nov 2014 11:47:35 +0800 From: [email protected] To: [email protected] Subject: [Pw_forum] band decomposed pDOS Dear PWscf user, Is it possible to plot projected density of states (or wave function character) of each band (individually) on each orbital and sites ? Thanks in advance, Kapildeb Dolui, Research Fellow, National University Singapore. _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
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