
hcp_a=2.51
hcp_c=1.624*hcp_a


astar=4*math.pi/hcp_a/math.sqrt(3.0)
cstar=2*math.pi/hcp_c
eps=0.0011

(v1,v2,v3)=cella.Brillvectors

print " I VETTORI DELLO SPAZIO RECIPROCO SONO "
print cella.Brillvectors

Qmod= 4.500000e-01

N_thetas = 10
thetas= ( ( Numeric.arrayrange(N_thetas )+0.5)/N_thetas )
thetas = 2*thetas - 1.0
thetas = Numeric.arccos(thetas)


vecta = (Numeric.reshape(Numeric.array([1,1,0]),[3,1]) * Numeric.sin(thetas) +
         Numeric.reshape(Numeric.array([0,0,1]),[3,1])  * Numeric.cos(thetas))


# print " vecta est ", vecta





N_psis = 20
psis= ( ( Numeric.arrayrange(N_psis )+0.5)/N_psis ) * 2 * math.pi


vectb = (Numeric.reshape(Numeric.array([1,0,0]),[3,1]) * Numeric.cos(psis) +
         Numeric.reshape(Numeric.array([0,1,0]),[3,1])  * Numeric.sin(psis) +
         Numeric.reshape(Numeric.array([0,0,1]),[3,1]) )

# print " vectb est ", vectb


vecta=Numeric.transpose(vecta)
vectb=Numeric.transpose(vectb)

vects = Numeric.array( [ va*vb for va in vecta for vb in vectb  ]      )


# print vects


# Q=Numeric.array( [ (v1*(0.005*i+eps) + 0.0*v2 + 0.0*v3)  for i in range(1,200)]    )

Q = vects * Qmod

debyerange=[-1,-1,-1]
debye=astar/4
SMcellrange=[2,2,2]
cellrange= [-1,-1,-1]
Kcellrange=[-1,-1,-2]
sigmacellrange=[-1,-1,-1]
sigmacharge=3
IS_IT_SCREENED=0
USE_DFM=1
selectors=[(1.0,1.0,0.0), (1.0,-1.0,0.0), (1.0,0.0,1.0), (-1.0,1.0,0.0)]
