Dear all!

I have recently started using Harmann’s SG15 optimized norm-conserving PPs 

They give very nice “out of the box” band structures and lattice constants 
whilst using small cutoffs. I have to use a NC PP because of further processing 
using YAMBO which currently only supports NC.

The only drawback is the empty


section in the PP files leading to projwfc.x echoing “Cannot project on zero 
atomic wavefunctions!” (self-explanatory). Projected wavefunctions give, 
however, nice plots for the VBM and CBM in terms of the involved orbitals.
I wonder if it is possible (and if someone has experience with..) re-building 
the PP including this section. The program for building the PP is available 
from but I am not sure what 
to look for in the manual. An annotated example is delivered with the program 
(and attached); maybe someone can give it a quick look?

Your help and advice is, as always, very much appreciated!


Christoph Wolf
POSTECH University, Pohang, South Korea
Department of Materials Science and Engineering


Attachment: 32_Ge_annotated.dat
Description: 32_Ge_annotated.dat

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