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Workflow Results

static-energy.vasp.matproj-scan

Submit New Run API JSON Python-client

Description:

This task is a reimplementation of pymatgen's MPScanStaticSet.

Required Parameters:

  • structure

All Parameters:

  • angle_tolerance
  • command
  • compress_output
  • directory
  • is_restart
  • run_id
  • source
  • standardize_structure
  • structure
  • symmetry_precision

Read through our our parameter documentation for more information.

Extras:

Filter Results:

Filter mix-ins: ['Structure', 'Thermodynamics', 'Forces', 'Calculation']

Extra filters: ['band_gap__range', 'is_gap_direct', 'energy_fermi__range', 'conduction_band_minimum__range', 'valence_band_maximum__range']

Multiple values may be separated by commas.
Multiple values may be separated by commas.

Multiple values may be separated by commas.

Multiple values may be separated by commas.
Multiple values may be separated by commas.
Multiple values may be separated by commas.
Multiple values may be separated by commas.
Multiple values may be separated by commas.

Multiple values may be separated by commas.
Multiple values may be separated by commas.
Multiple values may be separated by commas.
Multiple values may be separated by commas.
Multiple values may be separated by commas.

Multiple values may be separated by commas.
Multiple values may be separated by commas.
Multiple values may be separated by commas.
Multiple values may be separated by commas.

WARNING: even though some static energy calculations provide this information, these values are very rough estimates.
Multiple values may be separated by commas.
Multiple values may be separated by commas.
Multiple values may be separated by commas.
Multiple values may be separated by commas.

By Extra Info:

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