JDFTx  1.2.1
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initial-state

Syntax:

initial-state <filename-pattern>

Description:

Initialize state from a filename pattern which contains a $VAR, equivalent to invoking the following commands:

  • wavefunction read <filename-pattern>/$VAR/wfns
  • elec-initial-fillings read <filename-pattern>/$VAR/fillings
  • elec-initial-Haux <filename-pattern>/$VAR/Haux
  • fluid-initial-state <filename-pattern>/$VAR/fluidState

(where A/x/y is sed for 'find x in A and replace it with y'.) This command will invoke the read only for those state variables for which the corresponding files exist, leaving the rest with default initialization. When using SCF, this will also read scfHistory and eigenvalues if available.

Properties:

Requires:     (None)

Forbids:     elec-initial-eigenvals     elec-initial-fillings     fluid-initial-state     wavefunction

Allow multiple:    no

Default:     (None)

Back to: Input file documentation or Index of commands