JDFTx  1.7.0
WannierMinimizer::KmeshEntry Struct Reference

Entry in the k-point mesh, including state of minimizer (subspace rotations) More...

#include <WannierMinimizer.h>

Public Attributes

Kpoint point
 point in the mesh
 
int nIn
 
int nFixed
 
matrix U
 
matrix Omega_UdotU
 net rotation (nBands x nIn) and intermediate gradient (Omega_U * U) w.r.t it
 
matrix U1
 
matrix U2
 
std::shared_ptr< MPIUtilmpi
 

Detailed Description

Entry in the k-point mesh, including state of minimizer (subspace rotations)


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