Re: CCL:How to print overlap matrix in gaussian 03

Hi Dear ...
 The overlap matrix in terms of the atomic orbital basis fuctions can be print
 in the output file using the IOP=3/33 (overlay 3 variable 33). De default is
 No Print. The next keyword in the Route secction print the overlap matrix
 iop(3/33=4) pop=full
 Warning: Do not forget it the pop=full keyword.
 The output look as(h20 with the sto-3g basis):
       DENSITY MATRIX.
                            1         2         3         4         5
    1 1   O  1S          2.10786
    2        2S         -0.45534   2.00654
    3        2PX         0.00000   0.00000   2.00000
    4        2PY         0.00000   0.00000   0.00000   0.75066
    5        2PZ        -0.10813   0.60592   0.00000   0.00000   1.17327
    6 2   H  1S         -0.02248  -0.05498   0.00000   0.55045  -0.48420
    7 3   H  1S         -0.02248  -0.05498   0.00000  -0.55045  -0.48420
                            6         7
    6 2   H  1S          0.62617
    7 3   H  1S         -0.18112   0.62617
 Best Regards,
 Carlos
 Carlos Cardenas
 Doctorado en Fmsico Qummica Molecular
 Universidad Andris Bello.
 Santiago, Chile
 Tel (56+2) 6714518
 ---------- Original Message -----------
 From: renyanliang <yanliangren_2002 ## yahoo.com.cn>
 To: chemistry ## ccl.net
 Sent: Wed, 15 Jun 2005 09:51:21 +0800 (CST)
 Subject: CCL:How to print overlap matrix in gaussian 03
 > Dear All:
 >     Now, I want to check the overlap integral matrix
 > (S) in the output file of the gaussian 03 program, who
 > can give me some advice to make gaussian 03 print this
 > matrix. or which program can print it.
 >    Best Wish!
 >
 >
 > ___________________________________________________________
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