JDFTx  1.2.1
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slab-epsilon

Syntax:

slab-epsilon <DtotFile> <sigma> [<Ex>=0] [<Ey>=0] [<Ez>=0]

Description:

Calculate dielectric function of a slab given the electrostatic potential output from another calculation on same system with a different electric field.

  • <DtotFile> contains the electrostatic potential from the other calculation
  • <sigma> in bohrs specifies gaussian smoothing in output
  • optional <Ex>,<Ey>,Ez> specify the electric-field applied in the calculation that generated <DtotFile>.

Properties:

Requires:     coulomb-truncation-embed

Forbids:     (None)

Allow multiple:    no

Default:     (None)

Back to: Input file documentation or Index of commands