The file turbo.in

Next: Section %method Up: Running TURBOMOLE using the Previous: Implementation Contents Index

The file `turbo.in`

The file turbo.in is the input file for a TURBOMOLE calculation with TMOLE. This file consists of the following sections: %method,%coord and the optional ones %charge, %title,%add_control_commands, %scan The file has to end with %end.

Subsections

Section %method
Available Properties
Possible levels of calculation
Basis set choice
Available general run options
Available SCF run options
Available run options for structure optimizations
Miscellaneous run options
Section %coord
Optional Sections

TURBOMOLE