manual   quickstart   instguide   update   basis

Next: 4.1 Geometry specification Up: Getting Started with Molpro Previous: 3 How to run   Contents   PDF

4 How to prepare an input file

As explained in the introduction, the input file should contain the following minimum information.

We will consider these three in turn.

All input can be given in upper or lower case and in free format. Most input lines start with a keyword, which is followed by numbers or other specifications (options). The different entries on each line should be separated by commas (see next section for more explanation about this).



Subsections

molpro@molpro.net 2017-12-16