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Fermilevel is not set to zero in bandsplot #119

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jeev4303 opened this issue Oct 17, 2020 · 3 comments
Closed

Fermilevel is not set to zero in bandsplot #119

jeev4303 opened this issue Oct 17, 2020 · 3 comments

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@jeev4303
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Dear developers,
i have plotted the orbital band structure for my system, i found that the fermienergy is not set to zero when plotting.

the following tag is present in dosplot and not in the bandsplot, could anyone clarify this issue

--no-shift don't shift the VBM/Fermi level to 0 eV

thanks in advance,
kind regards
Rajeev

@utf
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utf commented Oct 17, 2020

Can you show the plot you are referring to?

Sumo will only set the Fermi level to zero if the system is metallic. If the system has a band gap, the energies will be zeroed to the valence band maximum (energy of the highest occupied state). The Fermi level given by VASP for insulators/semiconductors has no physical basis and is generally only set half way between the band edges.

@jeev4303
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Dear developers,

can i also shift the Fermi level while plotting using sumo. also i have attached the files below link in drive. like to know if any further files required

https://drive.google.com/drive/folders/1yzSznhbpKMX366nTUKQdC-yV5sGx0Skd?usp=sharing

thanks

@ajjackson
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Hi @jeev4303 ,

there have been a couple of developments on this.

Firstly, a bug was fixed in #156 so --no-shift should now work correctly in dosplot.

Secondly, #68 adds the ability to override the default energy reference (VBM or EFermi) with a user value, using --zero-energy. To draw a line at zero, add --zero-line.

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