CalRestrictions = {NF, NB, {"1111111111 0000000000 000000",8,8+2}, {"0000000000 1111111111 000000",10-1,10}, {"0000000000  0000000000 111111"  ,6-1,6}}

CalRestrictions = {NF, NB, {"1111111111 0000000000 000000",8,8+2}, {"0000000000 1111111111 000000",10-2,10}}

W/O means that we only use the initial restriction for calculating the EigenSystem(). No further restriction in CreatSpectra()

XAS_MLFT.

CalRestrictions = {NFermi, 0, {DeterminantString(NFermi,Index["Ni_3d"]),nd,nd+2}, {DeterminantString(NFermi,Index["Ligand_d"]),10-2,10}, {DeterminantString(NFermi, Index["Ni_2p"]), 6-1,6}}

CalRestrictions = {NFermi, 0, {DeterminantString(NFermi,Index["Ni_3d"]),nd,nd+2}, {DeterminantString(NFermi,Index["Ligand_d"]),10-1,10}, {DeterminantString(NFermi, Index["Ni_2p"]), 6-1,6}}

CalRestrictions = {NFermi, 0, {DeterminantString(NFermi,Index["Ni_3d"]),nd,nd+2}, {DeterminantString(NFermi,Index["Ligand_d"]),10-2,10}}