NEDOS: Difference between revisions
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== Example Calculations using this Tag == | == Example Calculations using this Tag == | ||
{{TAG|Bandgap of Si in GW}}, {{TAG|Bandstructure of Si in GW (VASP2WANNIER90)}}, {{TAG|Bandstructure of SrVO3 in GW}}, {{TAG|Dielectric properties of Si}}, {{TAG|Dielectric properties of SiC}} | {{TAG|Alpha-AlF3}}, {{TAG|Alpha-SiO2}}, {{TAG|Bandgap of Si in GW}}, {{TAG|Bandstructure of Si in GW (VASP2WANNIER90)}}, {{TAG|Bandstructure of SrVO3 in GW}}, {{TAG|Dielectric properties of Si}}, {{TAG|Dielectric properties of SiC}} | ||
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[[The_VASP_Manual|Contents]] | [[The_VASP_Manual|Contents]] | ||
[[Category:INCAR]] | [[Category:INCAR]] | ||
Revision as of 11:16, 24 February 2017
NEDOS = [integer]
Default: NEDOS =
Description: NEDOS specifies number of gridpoints on which the DOS is evaluated
The energy range between EMIN and EMAX is divided into NEDOS intervals, the DOS for each corresponding energy is written in DOSCAR.
Mind: If the DOS has narrow peaks, the default NEDOS may be too small to resolve all peaks properly. It may be helpful to compare the DOS to the integrated DOS (also written on DOSCAR) to find out whether this is the case: at least one peak should show up at every step of the integrated DOS. If so, the smallest peak widths from the dispersion of the respective bands can be estimated by having a look at the Kohn-Sham eigenvalues written in OUTCAR. NEDOS has to be chosen sufficiently large to resolve this dispersion. Alternatively, the energy interval defined by EMIN and EMAX can be modified.
Related Tags and Sections
Example Calculations using this Tag
Alpha-AlF3, Alpha-SiO2, Bandgap of Si in GW, Bandstructure of Si in GW (VASP2WANNIER90), Bandstructure of SrVO3 in GW, Dielectric properties of Si, Dielectric properties of SiC