PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
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Namespaces | |
pawpyseed.core.quad_check | |
Variables | |
int | pawpyseed.core.quad_check.total = 0 |
int | pawpyseed.core.quad_check.numtheta = min( int(rstep*27/100), 26 )+3 |
pawpyseed.core.quad_check.pts | |
pawpyseed.core.quad_check.wts | |
pawpyseed.core.quad_check.numphi = int((numtheta*2+2) * (1-pts[thetastep]**2)**0.5) | |