[Wannier] Too many projections defined error
Brad Malone
brad.malone@gmail.com
Fri, 25 May 2007 12:58:31 -0700
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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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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:
<br><br><blockquote style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;" class="gmail_quote"> param_get_projection: too many projections defined</blockquote><div><br><br>Any help in understanding why this is would be greatly appreciated!
<br><br>Best,<br>Brad<br></div><br><br>
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