JDFTx  1.2.1
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
fix-electron-potential

Syntax:

fix-electron-potential <filenamePattern>

Description:

Perform band structure calculations at fixed electron potential (or spin potential) 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 potential.

Properties:

Requires:     spintype

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

Allow multiple:    no

Default:     (None)

Back to: Input file documentation or Index of commands