[CP2K-user] About the Peintinger basis set

Thomas Kühne tku... at gmail.com
Fri Feb 15 15:38:47 UTC 2019

Dear YG Huang, 

please find the updated file attached. 
The Peintinger basis set are denoted 
as pob-DZVP, pob-TZVP etc. 
Please do not forget to cite their paper! 

Thomas Kühne

> Am 15.02.2019 um 16:10 schrieb Thomas Kühne <tdku... at mail.uni-paderborn.de>:
> Dear YG Huang, 
> my postdoc will arrange the basis set and sent you 
> and the CP2K repository the updated file during the 
> course of next week. 
> Best regards, 
> Thomas Kühne
>> Am 15.02.2019 um 12:06 schrieb y huang <yghua... at gmail.com <mailto:yghua... at gmail.com>>:
>> Dear Prof. Thomas: 
>> Many thanks for your help! 
>> I found the reference paper about the Peintinger all-enectron basis sets.  
>> But I can not find the basis set file in the lib of cp2k. 
>> Could you help to point out how can I get the basis file?
>> Best regards, 
>> YG Huang
>> ------------------
>> yghua... at gmail.com <mailto:yghua... at gmail.com>Department of Chemistry, 
>> Nanjing University, 
>> Jiangsu, China

Thomas D. Kühne
Dynamics of Condensed Matter
Chair of Theoretical Chemistry
University of Paderborn
Warburger Str. 100
D-33098 Paderborn
tdku... at mail.upb.de

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