JDFTx  1.4.2
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bgw-params

Syntax:

bgw-params <key1> <value1> <key2> <value2> ...

Description:

Control BGW output. Possible keys and value types are:

  • blockSize : Block size for ScaLAPACK diagonalization (default: 32)
  • clusterSize: Maximum eigenvalue cluster size to allocate extra ScaLAPACK workspace for (default: 10)
  • nBandsDense: If non-zero, use a dense ScaLAPACK solver to calculate more bands

Any number of these key-value pairs may be specified in any order.

Properties:

Requires:     (None)

Forbids:     (None)

Allow multiple:    no

Default:     (None)

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