Constrained DFT in NWCHEM


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Just Got Here
Dear everyone,

Recently i installed the NWCHEM 6.5 and tried to do some calculations base on the Constrained DFT method, however, i do not know how the keyword "spin" represents, the spin quantum number "s" or the total spin "s(s+1)" ? The NWCHEM manaul (NWCHEM6.5_Documentation.pdf) does not show me the answer.

Any response will be appreciated.

Suoe