Multiwfn forum / vibrational analysis with Percent Energy Distribution

Re: vibrational analysis with Percent Energy Distribution

dummy@example.com (Jishnunil) — Wed, 14 Sep 2022 17:18:10 +0000

Dear Prof. Lu
I have tried with OfakeG...it could not serve the purpose.
Best
Jis

Re: vibrational analysis with Percent Energy Distribution

dummy@example.com (Jishnunil) — Wed, 14 Sep 2022 17:08:04 +0000

Thanks a lot Prof. Lu

Re: vibrational analysis with Percent Energy Distribution

dummy@example.com (sobereva) — Tue, 13 Sep 2022 07:35:41 +0000

I don't know which PED code can deal with ORCA output file...

I have a code named OfakeG (http://sobereva.com/soft/OfakeG/), which is capable of converting output file of frequency analysis task of ORCA to "fake" format of Gaussian output file, but I am not sure if any PED code is compatible with this case.

Re: vibrational analysis with Percent Energy Distribution

dummy@example.com (Jishnunil) — Mon, 12 Sep 2022 15:06:36 +0000

Thank u....are the codes capable to read Orca output files?
Jis

Re: vibrational analysis with Percent Energy Distribution

dummy@example.com (sobereva) — Mon, 12 Sep 2022 14:19:21 +0000

Dear Jis,

PED is not supported by Multiwfn, you can use other freely available codes, such as Gar2PED, VEDA, MOLVIB, etc.

Best regards,

Tian

vibrational analysis with Percent Energy Distribution

dummy@example.com (Jishnunil) — Mon, 12 Sep 2022 11:28:59 +0000

Dear Prof. Lu
Is "complete vibrational analysis with Percent Energy Distribution" program available in Multiwfn? If so please inform me.
With best regards
Sincerely
Jis