JDFTx  1.2.1
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SCFvariable Struct Reference

Variable that is mixed during SCF Component names are density-like, but when mixing potential, they refer to corresponding gradient. More...

#include <SCF.h>

Public Attributes

ScalarFieldArray n
 electron density (or potential)
 
ScalarFieldArray tau
 KE density (or potential) [mGGA only].
 
std::vector< matrixrhoAtom
 atomic density matrices (or corresponding potential) [DFT+U only]
 

Detailed Description

Variable that is mixed during SCF Component names are density-like, but when mixing potential, they refer to corresponding gradient.


The documentation for this struct was generated from the following file: