PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
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#include <utils.h>
Public Attributes | |
int | num_projs |
number of radial projector functions More... | |
int | total_projs |
number of projector functions More... | |
int * | ns |
radial projector index More... | |
int * | ls |
l values of projectors More... | |
int * | ms |
m values of projectors More... | |
double complex * | overlaps |
list of <p_i|psi> More... | |
int* projection::ls |
l values of projectors
int* projection::ms |
m values of projectors
int* projection::ns |
radial projector index
int projection::num_projs |
number of radial projector functions
double complex* projection::overlaps |
list of <p_i|psi>
int projection::total_projs |
number of projector functions