JDFTx  1.2.1
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fix-electron-density

Syntax:

fix-electron-density <filenamePattern>

Description:

Perform band structure calculations at fixed electron density (or spin density) read from the specified <filenamePattern>. This pattern must include $VAR which will be replaced by the appropriate variable names accounting for spin-polarization (same as used for dump). Meta-GGA calculations will also require the corresponding kinetic density.

Properties:

Requires:     spintype

Forbids:     dump-only     elec-ex-corr-compare     elec-smearing     electronic-scf     fix-electron-potential     vibrations

Allow multiple:    no

Default:     (None)

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