Problem in DFTB with files from DFTB.org
Jan-Niclas Luy
luyjan... at gmail.com
Mon May 7 11:09:48 UTC 2018
A small follow up from my own tests.
Systems containing only C, H, Si worked fine. There seems to be something
wrong with how CP2K uses the CN parameters. What is the use of the second
line in heteronuclear parameter files in CP2K?
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