Skip to content
/ tbcube Public

Writing cube files from the tblite wavefunction

Notifications You must be signed in to change notification settings

haneug/tbcube

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

17 Commits
 
 
 
 
 
 
 
 
 
 

Repository files navigation

Cube file generator for xTB methods

Installation

This project uses the Fortran package manager (fpm). Create a new build with:

fpm build

The resulting executable can be used to plot cube files with the extended tight binding (xTB) methods:

tbcube struc.xyz --occ

About

Writing cube files from the tblite wavefunction

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published