NBO 7 on Gaussian 09 Revision C.01 64 bit

NBO 7 on Gaussian 09 Revision C.01 64 bit

Postby patrashantigopal » Sun Apr 21, 2019 3:36 am

Dear Users,

Can I link NBO 7 to the windows version of Gaussian 09 Revision C.01 (64 bit)? Please also provide the steps which I have to follow. Looking forward.

Best regards,
Shanti
patrashantigopal
 
Posts: 2
Joined: Sun Apr 21, 2019 3:24 am

Re: NBO 7 on Gaussian 09 Revision C.01 64 bit

Postby ericg » Sun Apr 21, 2019 9:25 am

Shanti,

NBO7 can be interfaced to G09 C.01, but only if you have the source distribution of G09. The C.01/NBO7 interface requires that you rebuild Link 607 from source using replacement code that we provide in the NBO7 distribution. Installation instructions are here:
G09C01.txt
(6.85 KiB) Downloaded 185 times
My guess is that you probably don't have G09 source for Windows, in which case the direct linking of NBO7 to G09 won't work for you.

You can instead use G09 C.01 with NBO7 as follows: Run G09 with the pop=nboread keyword and "$nbo archive $end" input. G09's NBO 3.1 will write an archive file (FILE47) that can then be used as input to GenNBO, the standalone program of the NBO7 distribution. The principal NBO7 functionality that you won't have access to (without the direct link to G09) is NBO deletions analysis.

Eric
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Re: NBO 7 on Gaussian 09 Revision C.01 64 bit

Postby patrashantigopal » Mon Apr 22, 2019 12:06 pm

Dear Eric,

Can I be able to install NBO7 in the latest windows version of ORCA and use all the features of NBO? Please tell if there is any limitation in the use of NBO7 with ORCA.

Sincerely,
Shanti
patrashantigopal
 
Posts: 2
Joined: Sun Apr 21, 2019 3:24 am

Re: NBO 7 on Gaussian 09 Revision C.01 64 bit

Postby ericg » Wed Jun 12, 2019 11:28 am

There should be no limitations.

Eric
ericg
 
Posts: 317
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