custodian.lobster.handlers module

This module implements specific error handler for Lobster runs.

class custodian.lobster.handlers.ChargeSpillingValidator(output_filename: str = ‘lobsterout’, charge_spilling_limit: float = 0.05)

Bases: Validator

Check if spilling is below certain threshold!

• Parameters
  • output_filename – filename of the output file of lobter, usually lobsterout
  • charge_spilling_limit – limit of the charge spilling that will be considered okay

check()

open lobsterout and find charge spilling

class custodian.lobster.handlers.EnoughBandsValidator(output_filename: str = ‘lobsterout’)

Bases: Validator

validates if enough bands for COHP calculation are available

• Parameters

  output_filename – filename of output file, usually lobsterout

check()

checks if the VASP calculation had enough bands :returns: (bool) if True, too few bands have been applied

class custodian.lobster.handlers.LobsterFilesValidator()

Bases: Validator

Check for existence of some of the files that lobster

normally create upon running.

Check if lobster terminated normally by looking for finished

Dummy init

check()

Check for errors.