[
next
] [
prev
] [
prev-tail
] [
tail
] [
up
]
Chapter
21
Sample
control
files
21.1
Introduction
21.2
NH
3
Input for a RHF Calculation
Main File
control
File
coord
File
basis
File
mos
21.3
NO
2
input for an unrestricted DFT calculation
Main File
control
File
coord
File
basis
21.4
TaCl
5
Input for an RI-DFT Calculation with ECPs
Main File
control
File
coord
File
basis
File
auxbasis
21.5
Basisset optimization for Nitrogen
Main File
control
File
coord
File
basis
File
mos
21.6
ROHF of Two Open Shells
Extracts from
control
for O
2
in
D
3
d
Symmetry
Extracts from
control
for O
2
in
D
2
h
Symmetry
[
next
] [
prev
] [
prev-tail
] [
front
] [
up
]