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#1 2019-05-21 20:05:13

Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 393

Multiwfn 3.6 has been released!

Dear Multiwfn users,

I am very glad to announce that formal version of Multiwfn 3.6 has been released! The new version now can be downloaded from

In recent one year, I have made great effort on the development of Multiwfn 3.6. With respect to last version (3.5), there are about a hundred new features and improvements (please check "Update history" page of Multiwfn website)! It can be said that there has been a leap forward compared to version 3.5. All Multiwfn users are highly encouraged to immediately update to version 3.6!

In the next major version (3.7), I intend to realize natural population analysis (NPA) into the code, and then all functions in Multiwfn that based on natural atomic orbital (NAO) will be able to run independently (that is, the output file of NBO code will no longer be needed).

The development of Multiwfn is inseparable from the support of users. It is hoped that users will continue to pay attention to the development of Multiwfn and promote it to researchers around the world, so that the important value of Multiwfn can be more recognized by the whole computational chemistry community!

Tian Lu
(Multiwfn developer)


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