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Script to read ORCA frequencies #14

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rafaelpap opened this issue Mar 22, 2022 · 0 comments
Open

Script to read ORCA frequencies #14

rafaelpap opened this issue Mar 22, 2022 · 0 comments

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@rafaelpap
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Dear Sir,
Starting from the fchk2dym.script I have created a orca2dym.script which uses the output from ORCA 5. Please tell me if you are interested to include it with feff10.

Best regards,
Rafael RP
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@rafaelpap