aiida_quantumespresso.parsers.dos
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Module Contents#
Classes#
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Functions#
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This function takes as input the dos_file as a list of filelines along with information on how to give labels and |
- class aiida_quantumespresso.parsers.dos.DosParser(node: aiida.orm.CalcJobNode)[source]#
Bases:
aiida_quantumespresso.parsers.base.BaseParser
Parser
implementation for theDosCalculation
calculation job class.
- aiida_quantumespresso.parsers.dos.parse_raw_dos(dos_file, array_names, array_units)[source]#
This function takes as input the dos_file as a list of filelines along with information on how to give labels and units to the parsed data.
- Parameters:
dos_file (list) – dos file lines in the form of a list
array_names (list) – list of all array names, note that array_names[0] is for the case with non spin-polarized calculations and array_names[1] is for the case with spin-polarized calculation
array_units (list) – list of all array units, note that array_units[0] is for the case with non spin-polarized calculations and array_units[1] is for the case with spin-polarized calculation
- Return array_data:
narray, a dictionary for ArrayData type, which contains all parsed dos output along with labels and units
- Return spin:
boolean, indicates whether the parsed results are spin polarized