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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 :

H H4.0-s31p31 H_TM
C C4.5-s41p41 C_TM_PCC

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


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,



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