pymatgen.io.lobster module

class Cohpcar(are_coops=False, filename=None)[source]

Bases: object

Class to read COHPCAR/COOPCAR files generated by LOBSTER.

Parameters:
  • are_coops – Determines if the file is a list of COHPs or COOPs. Default is False for COHPs.
  • filename – Name of the COHPCAR file. If it is None, the default file name will be chosen, depending on the value of are_coops.
class Icohplist(are_coops=False, filename=None)[source]

Bases: object

Class to read ICOHPLIST/ICOOPLIST files generated by LOBSTER.

Parameters:
  • are_coops – Determines if the file is a list of ICOHPs or ICOOPs. Defaults to False for ICOHPs.
  • filename – Name of the ICOHPLIST file. If it is None, the default file name will be chosen, depending on the value of are_coops.