Excitation cross sections input file

[Rvinkr]

Hello @mfgu sir,
I am trying to run the FAC code for excitation of tungsten, please suggest me the right input file for it. Please suggest me if i am using right input file or not. I want to calculate the total cross sections for ground state of tungsten.

"""calculate the electron impact excitation cross sections
"""
import sys
from pfac import fac

use_openmp = False
if len(sys.argv) == 2 and sys.argv[1] == 'openmp':
use_openmp = True

if use_openmp:
# enable openmp with 2 cores
fac.InitializeMPI(2)

fac.SetAtom('W')

1s shell is closed

fac.Closed('1s 2s 2p 3s 3p 4s 3d 4p 5s 4d 5p')
fac.Config('6s2 4f14 5d4', group = 'n2')
fac.Config('6s1 4f14 5d5 ', group = 'n3')
fac.Config('6s1 4f14 5d4 6p1', group = 'n4')

Self-consistent iteration for optimized central potential

fac.ConfigEnergy(0)
fac.OptimizeRadial('n2')
fac.ConfigEnergy(1)
fac.Structure('ne.lev.b')
fac.MemENTable('ne.lev.b')
fac.PrintTable('ne.lev.b', 'ne.lev', 1)

e = [1, 2, 3, 5, 10, 30, 50, 100, 200, 300, 500]
fac.SetUsrCEGrid(e)
fac.SetCEQkMode(0)
fac.CETable('ne.ce.b', ['n2'], ['n2', 'n3', 'n4'])
fac.PrintTable('ne.ce.b', 'ne.ce', 1)

if use_openmp:
fac.FinalizeMPI()