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Problems about basis function Date: 2007/08/31 00:26 Name: MMQS Dear Ozaki : I have 2 problem about the basis function : 1. I‘ve used the configuration of basis for atoms as following : <Definition.of.Atomic.Species H H4.0-s31p31 H_TM C C4.5-s41p41 C_TM_PCC Definition.of.Atomic.Species> I want to know what does this configuration mean. 2. Where can I find the number of basis from output file ?

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Re: Problems about basis function ( No.1 ) Date: 2007/09/01 18:41 Name: T.Ozaki Hi, We have already given the explanation in the manual and papers (PRB 67, 155108, (2003); PRB 69, 195113 (2004)). I hope that you look over that materials first. Best regards, TO

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