Availability of MOLOPT basis sets

Christopher O'Brien cjobr... at gmail.com
Tue Mar 24 04:15:21 UTC 2015

I appreciate your generous donation of the basis set. 

On Monday, March 23, 2015 at 3:59:06 AM UTC-6, Matthias Krack wrote:
> Hi,
> the attached file contains a set of Ca basis sets which I generated once 
> still using the old basis set generator. These basis sets rather match the 
> DZVP-GTH, TZVP-GTH, TZV2P-GTH basis set type sequence. Well, no guarantee 
> that they will work for your system and thus a careful checking is 
> mandatory as usual.
> Matthias
> On Sunday, 22 March 2015 21:52:48 UTC+1, Christopher O'Brien wrote:
>> Does anyone know how to generate an optimized basis set/pseudopotential 
>> for Ca (specifically of the TZV2P type)? I noticed that the ATOM module may 
>> permit me to do this by looking at the test files. Is there instructions 
>> for generating a basis/pseudo?  
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