<![CDATA[Multiwfn forum / How to find method/basis for an existing WFN file?]]> http://sobereva.com/wfnbbs/viewtopic.php?id=1553 Thu, 14 Nov 2024 23:06:47 +0000 FluxBB <![CDATA[Re: How to find method/basis for an existing WFN file?]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=4690#p4690 Dear Tian,
Thank you very much.

Sincerely,
Saeed

]]> Thu, 14 Nov 2024 23:06:47 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=4690#p4690 <![CDATA[Re: How to find method/basis for an existing WFN file?]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=4689#p4689 Dear Saeed,

Unfortunately, it is not possible to directly derive the method and basis set used for generate the .wfn file.

Best,

Tian

]]> Thu, 14 Nov 2024 22:49:00 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=4689#p4689 <![CDATA[How to find method/basis for an existing WFN file?]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=4688#p4688 Dear Tian,
Please suppose a given "WFN" file is at hand. Is there any way to find which "method/basis set" is employed to generate such a file? Usually, this information is not included in a generated "WFN" file.

Sincerely,
Saeed

]]> Thu, 14 Nov 2024 22:34:49 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=4688#p4688