Converting analytical files

This job converts an analytical file into an other format.

Supported input formats

Below are the supported input formats for the analytical files:

  • .fchk

  • .gab

  • .log

  • .molden

  • .wfx.

Supported output formats

Below are the supported output formats for the analytical files:

  • .gab

  • .molden

  • .wfx.

Example input file

Here is an example input file for this job:

1#RunType=Help
2RunType=ConvertOrbitals
3AnalyticFiles=input.wfx, output.molden