CCSD-F12 Bug

  • cliao25
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1 week 4 days ago #1627 by cliao25
CCSD-F12 Bug was created by cliao25
I am trying to run CCSD on OH-.

Result:
Total CCSD energy [au]:                              -75.669399266771
Total CCSD(F12*) energy [au]:             -2154986.878392104525

There is clearly something wrong with F12. 
I am using version 25.1.4 

File Attachment:

File Name: GENBAS.txt
File Size:1 KB
 

File Attachment:

File Name: ccsd.txt
File Size:16 KB
 

File Attachment:

File Name: ccsdf12.txt
File Size:23 KB

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  • kallay
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  • Mihaly Kallay
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1 week 1 day ago #1628 by kallay
Replied by kallay on topic CCSD-F12 Bug
Thank you very much for reporting this issue. It has been fixed. Please download the patched program (version 25.1.5).
Best regards,
Mihaly Kallay

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