[CP2K:8461] Re: Error in job running
rizwan... at gmail.com
Tue Dec 6 14:02:54 CET 2016
Thank you for your kind help and valuable inputs. I have mentioned in the
input &VDW section and used the setting as shown in the
tests/QS/regtest-dft-vdw-corr/dftd3_t9.inp. But I have one query, Is the
value of R_CUTOFF 8. and EPS_CN 0.01 same for all the elements or does it
vary with the elements in the periodic table? I have no idea of using these
values any suggestions are highly appreciated in advance. I have given
below the setting that I used in my input. Do I need to change the values
or keep constant of (highlighted part below), If it needs to be changed,
what is the possible way to mention that in the input and what would be the
possible range of variables?
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