Tutorials of NWChem for Beginers ?

[German Miño-Galaz]

Dear All.

I want to lear more about usage of NWChem.

I have been looking along the web for detailed tutorials, but without good results.

Could you recommend/share material?

Gratefully in advance.

Germán Miño-Galaz.

[Edoardo Aprà]

https://nwchemgit.github.io/Tutorials.html

[jeff.science]

Many years ago I started writing https://github.com/NWChem/NWChem101. I never finished it, but it still contains some useful stuff.  The content on geometries and basis sets is probably useful.  If you have a specific question that might be answerable in that tutorial, file a GitHub issue there and I'll try to write something.

You can also use https://github.com/NWChem/input-generator, which I created because I am too lazy to write NWChem input files by hand.  If you are the type of person who learns by example, those might help you.  They contain the settings I use in my work, which are designed to be some approximation of optimal from a computational perspective.

I only know about atomic orbital basis set methods in a vacuum.

Jeff