| Name | Modified | Size | Downloads / Week |
|---|---|---|---|
| Parent folder | |||
| __init__.py | 2018-03-22 | 35 Bytes | |
| procarfilefilter.py | 2018-03-22 | 12.7 kB | |
| procarparser.py | 2018-03-22 | 17.4 kB | |
| procarplot.py | 2018-03-22 | 4.9 kB | |
| utilsprocar.py | 2018-03-22 | 9.9 kB | |
| fermisurface.py | 2018-03-22 | 6.5 kB | |
| procarselect.py | 2018-03-22 | 6.3 kB | |
| procarsymmetry.py | 2018-03-22 | 7.8 kB | |
| scriptKmesh2D.py | 2018-03-22 | 539 Bytes | |
| scriptAbinitMerge.py | 2018-03-22 | 269 Bytes | |
| scriptFilter.py | 2018-03-22 | 1.8 kB | |
| scriptFermi2D.py | 2018-03-22 | 3.6 kB | |
| scriptRepair.py | 2018-03-22 | 241 Bytes | |
| scriptVector.py | 2018-03-22 | 2.6 kB | |
| info.py | 2018-03-22 | 276 Bytes | |
| scriptBandsplot.py | 2018-03-22 | 5.7 kB | |
| scriptCat.py | 2018-03-22 | 473 Bytes | |
| __init__.pyc | 2018-03-22 | 179 Bytes | |
| procarfilefilter.pyc | 2018-03-22 | 9.2 kB | |
| procarplot.pyc | 2018-03-22 | 5.2 kB | |
| procarparser.pyc | 2018-03-22 | 12.9 kB | |
| procarselect.pyc | 2018-03-22 | 6.4 kB | |
| procarsymmetry.pyc | 2018-03-22 | 7.7 kB | |
| utilsprocar.pyc | 2018-03-22 | 8.7 kB | |
| fermisurface.pyc | 2018-03-22 | 7.0 kB | |
| scriptBandsplot.pyc | 2018-03-22 | 4.4 kB | |
| scriptAbinitMerge.pyc | 2018-03-22 | 546 Bytes | |
| scriptFilter.pyc | 2018-03-22 | 1.6 kB | |
| scriptKmesh2D.pyc | 2018-03-22 | 808 Bytes | |
| scriptRepair.pyc | 2018-03-22 | 441 Bytes | |
| scriptCat.pyc | 2018-03-22 | 692 Bytes | |
| scriptFermi2D.pyc | 2018-03-22 | 3.4 kB | |
| scriptVector.pyc | 2018-03-22 | 2.7 kB | |
| PROCAR.FORMAT | 2018-03-22 | 1.6 kB | |
| PyProcar_Manual_package.docx | 2018-03-22 | 17.0 kB | |
| README.txt | 2018-03-22 | 900 Bytes | |
| setup.py | 2018-03-22 | 845 Bytes | |
| tutorial.txt | 2018-03-22 | 11.9 kB | |
| LICENSE.txt | 2018-03-22 | 42.9 kB | |
| CHANGES.txt | 2018-03-22 | 96 Bytes | |
| Totals: 40 Items | 228.1 kB | 2 | |
===========
PyPROCAR
===========
Prprocar provides a set of scripts that manage the PROCAR file obtained from Vasp. Basically, the PROCAR
file is a projection of the Kohn-Sham states over atomic orbitals. That projection is performed to every K
point in the considered mesh, every energy band and every atom. Here you will find scripts that help
you in digging the information from it and plot it in a nice and friendly process.
Typical use is as follows
#!/usr/bin/env python
import pyprocar
pyprocar.bandsplot('PROCAR',outcar='OUTCAR',mode='parametric')
Refer to documentation for further details.
Contributors
------------
Francisco Munoz
Aldo Romero
Sobhit Singh
Uthpala Herath
Pedram Tavadze
Installation
--------------
From SOURCEFORGE
-Download the pyprocar package and cd into the root directory.Then,
>sudo python setup.py install
From PyPI
>pip install pyprocar