Please correct the band structure control generator in several ways (stable and development version)
Hi @ansobolev and @Kokookster , here are some points that need correction on:
https://gims.ms1p.org/static/index.html#BandStructure-workflow#ControlGenerator
- Most important:
Parameters for Absorption Function and Dielectric Tensor are incorrectly described. Please see my updated manual entry or the source code. Please change:
"Plasma frequency" (wrong) -> "Upper frequency bound to be printed" (correct)
"Number of States" (wrong) -> "Number of frequency points to be printed" (correct)
-
Please add typical values for both parameters: 10 eV (upper frequency bound) and 1000 (number of points)
-
Please add recommended value for the DOS output: -20. , 10, 3001, 0.1 eV
I have another set of requests that I will post in a separate issue. Thanks!
Best wishes Volker