Help with TZVP basis set for Platinum

Rahul Hardikar hardika... at gmail.com
Tue Dec 13 07:07:41 CET 2016


Hello CP2K users/experts,

Recently, I have started using cp2k for my research work. In my current 
project, I am benchmarking my simulations on Pt-layers with literature 
works. My attempt to find
surface energies and convergence with respect to layers hasn't been 
successful with the MOLOPT DZVP basis set. However, using TZVP basis the 
authors of JCP, 129, 234703 (2008) 
are able to find good convergence in surface energies. Can anyone suggest 
where I can find the TZVP basis set parameters. I tried to convert TZVP 
basis set available on EMSL website but
was not able to do it correctly. I will appreciate any suggestions with 
respect to this issue. 


Thanks in advance,
Rahul Hardikar   
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