PSCF v1.4.0
Parameter File - Domain Block

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Every PSCF parameter file contains a block labelled "Domain", which always appears after the Mixture and Interaction Blocks. This block contains information about the spatial domain within which a SCFT or PS-FTS calculation will be performed. Different formats are used for the Domain block to describe the one-dimensional coordinate domains used by pscf_r1d and the periodic unit cells used by pscf_rpc and pscf_rpg. These two parameter block formats are described in the two pages linked below:

  1. One dimension domains (pscf_r1d)
  2. Periodic domains (pscf_rpc and pscf_rpg)


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