[CP2K:2311] Re: different basis set for the same element

Nguyen Ngoc Ha ha... at hnue.edu.vn
Sat Sep 26 18:42:34 UTC 2009

 Dear Axel,
Thanks for the tips, maybe the code requires a Z number with the
corresponding name.
If I only use a modiffied name in both of BASIS_SET and POTENTIAL database,
I'm not sure that this is a right way.
I think that problems are in files: periodic_table.F,
It's simple to add 'new elements' started from 107 with the same
propeties,... of the original elements into the files.
Best regards,

Nguyen, Ngoc Ha
Hanoi National University of Education
Faculty of Chemistry
Department of Physical Chemistry
Tel: Office: 04/38330842
Home: 04/37891674
Mobile: 0989133436
E-mai... at hnue.edu.vn <E-mail... at hnue.edu.vn>
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