https://github.com/danmichaelo/oppvasp
Some VASP scripts
https://github.com/danmichaelo/oppvasp
Last synced: about 1 year ago
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Some VASP scripts
- Host: GitHub
- URL: https://github.com/danmichaelo/oppvasp
- Owner: danmichaelo
- Created: 2010-10-10T18:01:42.000Z (over 15 years ago)
- Default Branch: master
- Last Pushed: 2012-10-09T22:43:33.000Z (over 13 years ago)
- Last Synced: 2025-05-06T07:03:59.175Z (about 1 year ago)
- Language: Python
- Homepage:
- Size: 531 KB
- Stars: 11
- Watchers: 4
- Forks: 4
- Open Issues: 0
-
Metadata Files:
- Readme: README.markdown
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README
### OPPVASP -- Oslo Python Package for Vasp and Similar Packages
OPPVASP is a wrap-up of various pre- and post-processing scripts
for ab initio codes, mainly VASP.
A warning: This code should not be considered stable, and it's
structure is likely to change in the future.
If you are just looking for a good python pre-/post-processing
package for ab initio codes, try ASE:
.
Some curent features:
* Simple setup of batch jobs for e.g. convergence tests
* Simple band structure parser for VASP and Quantum Espresso output
* Band analyzer that checks for minima, maxima, bandwidth...
* Band structure plotting using matplotlib
### Installing
Requirements: numpy, scipy, matplotlib, scitools, lxml
Optional: progressbar
git clone git://github.com/danmichaelo/oppvasp.git
### Author
dmheggo@student.matnat.uio.no