[Wannier] Too many projections defined error
Brad Malone
brad.malone at gmail.com
Fri May 25 21:58:31 CEST 2007
Hi, I'm having an issue that I'm very confused about. I'm running a
calculation on silicon with 12 atoms per unit cell. There is a gap in my
system (pwSCF tells me that 7.3 is the highest occupied state and 8.4 is the
lowest unoccupied state). I just care about the valence bands and so I set
my upper energy window to 7.8 eV and set num_wann=24 (num_bands=32). My
frozen energy window is the same as my larger window and it covers all 24
valence bands. However, when I run the wannier code to generate the .nnkp
file it tells me the following error:
param_get_projection: too many projections defined
Any help in understanding why this is would be greatly appreciated!
Best,
Brad
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