JDFTx  1.2.1
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dump-only

Syntax:

dump-only 

Description:

Bypass all minimization, perform a single energy evaluation at the initial state, and process dump commands at the end state. Useful for post-processing a converged calculation.

Properties:

Requires:     (None)

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

Allow multiple:    no

Default:     (None)

Back to: Input file documentation or Index of commands