Closed ltalirz closed 3 years ago
When using initial magnetization "zero", the multiplicity of the calculation should no longer be based on the intial magnetization. Instead it should be 1 for even number of electrons and 2 for uneven number of electrons.
When using initial magnetization "zero", the multiplicity of the calculation should no longer be based on the intial magnetization. Instead it should be 1 for even number of electrons and 2 for uneven number of electrons.