PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
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Variables | |
double | GAUNT_COEFF [4][4][4][7][4] |
double | SBTFACS [4][4][4][7][4] |
Stores gaunt coefficients and offsite overlap integral factors. Access as l1, l2, (L-|l1-l2|)/2, l1+m1, m2. Constrained by l1 >= l2, m2 >= 0, L >= |l1-l2|, L <= l1+l2
double GAUNT_COEFF[4][4][4][7][4] |
double SBTFACS[4][4][4][7][4] |