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What it can do
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Scripting capabilities of tetr
Contents
Utility
lev00
Subsections
What it can do
Installation and general information
Main definitions
A note on calculating electronic DOS
A note on calculating volume integrals
Detailed description of options of
lev00
Main menu
Calculation of the DOS
Physical bands
0 - Choose dispersion for the DOS smearing
3 - Total DOS: you need only -> band.out, brill.dat
1,2,11 - Projected (local) DOS calculations
Studying the partial or total charge/spin density
General remarks
1 - Plot density along a line
2 - Plot density in a plane
3 - Amount of charge inside a sphere
4 - Exploration of the density
5 - Dipole moment
6 - Quadrupole moment
7 - Get density via point charges: match moments & potential
8 - Cutting atoms out of the density
9 - Write non-zero density as NAME.new
10 - Write density in gOpenMol cube format
A short note on how to use gOpenMol
11 - Get density via point charges: match density
12 - Transform the charge density for a shifted system
Option 55 of the density menu
Option 4 of the density menu
General linear combination of charge densities
Search for the surface states
Lev Kantorovich 2006-05-08
