fixed a mistake in the r2r4 parameter for Barium

dftbplus / dftd3-lib

Library version of S. Grimmes DFTD3 code.

Other

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Closed robertrueger closed 5 years ago

robertrueger commented 5 years ago

The digit 1 was cut off in the orginal reformating of Grimme's code. The number 10.15 became 0.15 ...

aradi commented 5 years ago

Thanks, has been merged!