/qe2axsf

Converts Quantum Espresso Output Files to AXSF Files

Primary LanguagePython

qe2axsf

Converts Quantum Espresso output files to AXSF files viewable in XCrysDen. To run code, first make executable,

chmod +x qe2axsf.py

To run example output file named h2o_water.out, just type

./qe2axsf.py h2o_water.out

The output file will be named h2o_water.axsf.