[CP2K:747] using empirical VDW correction with CP2K

lmliu lml... at gmail.com
Mon Mar 10 00:36:47 UTC 2008

Dear Axel,

I compare your CH4-CH4 parameter with the Chemical Physics 327 (2006) 54?C62
and there is greatly difference. Do this part use the other unit  or you
take the parameter from other reference?

When I test water-water system, it shows the following errors. what does
this mean?

*** 01:34:59 WARNING in force_env_methods:mixed_energy_forces err=-300   ***
 *** ASSERTION (cond) failed at line   1151 Error (0.129985E-11) in
 *** computing numerical derivatives larger then(0.100000E-11) .

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