Questions tagged [free-software]

For questions asking for recommendations of matter modelling softwares available at no cost.

Filter by
Sorted by
Tagged with
3 votes
1 answer

Rendering Vector Graphics Images

I am trying to render few representative structures for molecules. The requirement for the images is as follows: (1) It must be vector graphics, and (2) Atom colorings must intuitively make sense (...
Hemanth Haridas's user avatar
9 votes
1 answer

Why is the planewave codes ecosystem healthier on free/opensource software adoption, when compared to codes supporting atom-centered orbitals?

Regarding the branch of matter modeling that deals with electronic structure methods, I think we can divide it in two camps: Those who work mostly with planewave-based software, geared towards ...
ksousa's user avatar
  • 4,048
12 votes
2 answers

Is there some free software to do Frank-Condon analysis?

I know Gaussian 16 can do it, but are there some free programs that can? For simple excited state calculations using TD-DFT, we can use NWChem and Octopus. Can these do Franck-Condon factors?
user779130's user avatar