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Re: Updated cc-pVxZ basis sets ready for download

Slawomir Janicki

Dear All,

I am very sorry to let you know that the latest update to the basis sets has errors. Alex restored the previous version of the library in the Downloads section.

At this moment I believe the errors are in cc-pCV5Z, cc-pCV(5-hi)Z, cc-pwCV5Z, and cc-pwCV(5-hi)Z sets, and their augmented versions.

I will let you know when the thoroughly corrected and checked version is ready.


On Sat Jan 4 '14 6:10pm, Slawomir Janicki wrote

>Alex posted an update in the Downloads section to the collection of cc-pVxZ basis set libraries. Here is what's new:

>- Quintuple zeta basis sets without h- or i-type functions.
>- Quadruple zeta basis sets without h- functions.

>Both types of basis sets were added for cc-pVxZ, cc-pV(x+d)Z, cc-pCVxZ, and cc-pwCxZ families. The fully diffuse function augmented ("aug-") and trimmed augmented ("month-", "maug-", "+") variants were also added for all basis sets.

>x now stands for D, T, Q, (Q-h), 5, and (5-hi).

>I also included the full quintuple zeta basis sets as a reference.


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