jarvis.db.qe_to_xml

Module to generate XML file for QE calculation.

Module Contents

Functions

parse_material_calculation_folder(path='Ag_Al_kspace/dimer.in_vnscf_coords_min_2', source='JARVIS-DFT-QE')

Parse QE calculation folder.

write_xml(path='', filename='temp.xml')

Write XML file.

jarvis.db.qe_to_xml.parse_material_calculation_folder(path='Ag_Al_kspace/dimer.in_vnscf_coords_min_2', source='JARVIS-DFT-QE')[source]

Parse QE calculation folder.

jarvis.db.qe_to_xml.write_xml(path='', filename='temp.xml')[source]

Write XML file.