JDFTx  1.2.1
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elec-ex-corr-compare

Syntax:

elec-ex-corr-compare <functional>
    | <funcX> <funcC>
    | <funcXC>

Description:

Compute total energies for other functionals at the final state for comparison. The available options for each parameter are identical to elec-ex-corr.

This command may be specified multiple times. It invokes 'dump End ExcCompare' automatically, but the compute frequency can be controlled using dump explicitly.

Properties:

Requires:     (None)

Forbids:     fix-electron-density     fix-electron-potential

Allow multiple:    yes

Default:     (None)

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