The convergence problems you are facing are due to broken symmetry issue. What make things worse is that NWChem fails to detect the Td symmetry present in your molecule.
Here is a modified input that will get to convergence. The main changes are
1) Molecule rotated to make NWChem detect the Td symmetry
2) molecular orbital swap to prevent symmetry breaking
start molecule
title "Base test for TiN"
charge 0
geometry units angstroms print xyz
N 1.02650 1.02650 -1.02650
Ti 1.02650 1.02650 1.02650
N 1.02650 -1.02650 1.02650
Ti 1.02650 -1.02650 -1.02650
Ti -1.02650 1.02650 -1.02650
N -1.02650 1.02650 1.02650
Ti -1.02650 -1.02650 1.02650
N -1.02650 -1.02650 -1.02650
end
basis
* library 6-31G*
end
scf
vectors input atomic swap 63 58
end
task scf optimize
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