MUSIC tutorial

Conventions and Notations

Throughout this tutorial the following conventions will be used:

Text in square brackets [ ] are variables that the user has to provide, such as file names

Text in blue font are either commands into the shell which are denoted by a ">" or else they are entries into a file.

The sorbate is the substance being adsorbed into the sorbent (in this example methane).
The sorbent is the solid that the sorbate is going into (in this example IRMOF1)

NOTE: MUSIC input files have several blank lines in them which if removed will stop it from working for some unknown reason. If in doubt leave it in or check the original.

If a number has a decimal point after it but is a whole number LEAVE THE POINT IN.