PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
Functions | Variables
pawpyseed.core.rayleigh Namespace Reference

Functions

def planewave (coord)
 
def func (coord)
 
def rad_int (r)
 

Variables

int k = np.array([0.6,0.2,0.3])*2
 
 x = np.arange(-8, 8, 0.1)
 
 y = np.arange(-8, 8, 0.1)
 
 z = np.arange(-8, 8, 0.1)
 
 indexing
 
 grid = np.array([x, y, z])
 
 w = planewave(grid)
 
 f = func(grid)
 
 integrand = w*np.conj(f)
 
 temp1 = np.trapz(integrand, x, axis = 0)
 
 temp2 = np.trapz(temp1, y[0,:,:], axis = 0)
 
 final = np.trapz(temp2, z[0,0,:], axis = 0)
 
 r = np.arange(0,8,0.1)
 
 integral = rad_int(r)
 

Function Documentation

def pawpyseed.core.rayleigh.func (   coord)
def pawpyseed.core.rayleigh.planewave (   coord)
def pawpyseed.core.rayleigh.rad_int (   r)

Variable Documentation

pawpyseed.core.rayleigh.f = func(grid)
pawpyseed.core.rayleigh.final = np.trapz(temp2, z[0,0,:], axis = 0)
pawpyseed.core.rayleigh.grid = np.array([x, y, z])
pawpyseed.core.rayleigh.indexing
pawpyseed.core.rayleigh.integral = rad_int(r)
pawpyseed.core.rayleigh.integrand = w*np.conj(f)
int pawpyseed.core.rayleigh.k = np.array([0.6,0.2,0.3])*2
pawpyseed.core.rayleigh.r = np.arange(0,8,0.1)
pawpyseed.core.rayleigh.temp1 = np.trapz(integrand, x, axis = 0)
pawpyseed.core.rayleigh.temp2 = np.trapz(temp1, y[0,:,:], axis = 0)
pawpyseed.core.rayleigh.w = planewave(grid)
pawpyseed.core.rayleigh.x = np.arange(-8, 8, 0.1)
pawpyseed.core.rayleigh.y = np.arange(-8, 8, 0.1)
pawpyseed.core.rayleigh.z = np.arange(-8, 8, 0.1)