Hi,

I want to calculate the spin dependent Projected Density of States.how can i modify the script of the Density Of States:

f = open('pdos.dat','w')

import numpy

projecte_density_of_states = calculateProjectedDensityOfStates(

self_consistent_calculation = scf,

projection_atoms =[11,18],

energies = numpy.arange(-1.0, 1.0+0.1, 0.01)*electronVolt,

brillouin_zone_integration_parameters = brillouinZoneIntegrationParameters((1, 1)),

green_function_infinitesimal = 1.0e-5*electronVolt

)

energies = projecte_density_of_states.energies()

pdos = projecte_density_of_states.projectedensityofstates()

if len(pdos.shape)==2:

# spin-polarized

print ' Projected Density of states'

print 'Energy (eV) Spin-up Spin-down'

print '------------------------------------------'

for i in range(len(energies)):

print "%g\t%g\t%g\n" % ( energies*.inUnitsOf(eV),*

pdos[0,i].inUnitsOf(eV**(-1)),pdos[1,i].inUnitsOf(eV**(-1)) )

s = '%g\t%g\t%g\n' % ( energies*.inUnitsOf(eV),*

pdos[0,i].inUnitsOf(eV**(-1)),pdos[1,i] .inUnitsOf(eV**(-1)))

f.write(s)

else:

print 'Energy (eV) Projected Density of states'

print '-----------------------------------'

for i in range(len(energies)):

print "%g\t%g\n" % ( energies*.inUnitsOf(eV**(-1)),pdos** )*

s = '%g\t%g\n' % ( energies*.inUnitsOf(eV**(-1)),pdos** )*

f.write(s)

f.close()

i have replaced the Density Of States with Projected Density of States.but it does not worked.i want to know how can i deal with the red part i indicated in the script above.