[CP2K:4386] Re: help me to find rVV10_kernel_table.dat file

Bonakala Satyanarayana satyanaray... at gmail.com
Tue Apr 23 06:33:32 CEST 2013


Dear Matt,
              I am using latest version package, 'cp2k-4dec12'. As per your
suggestion, I updated cp2k directory with command 'svn upgrade' but I have
not seen any  rVV10_kernel_table.dat file. There are 3 data files are
present, 1) dftd3.dat 2) t_c_g.dat 3) t_sh_p_s_c.dat. Can you please
suggest me which one I have to be considered.

Thanks and regards....

Thank you

B.Satyanarayana
Molecular modeling lab
Ph. D
JNCASR
Bangalore


On Mon, Apr 22, 2013 at 5:34 PM, Matt W <MattWa... at gmail.com> wrote:

> Maybe you need to update your tests directory? - it should be there.
>
> Matt
>
> On Monday, 22 April 2013 12:49:01 UTC+1, satya wrote:
>>
>> Hi all,
>>       I want to do  non local density functional calculations in CP2K. I
>> found key word with kernal file names. This key word needs files named as  rVV10
>> (or DRSLL/LMKLL)_kernel_table.dat. I am using  'cp2k-4dec12' release
>> software. I could not able to find the 'rVV10_kernel_table.dat' file in
>> /tests/QS/ folder. Can you please suggest me, where can I get above files.
>>
>> Thanks and regards..
>>
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