Hello
DFT-D3 it is implemented by sure in QE-6.3 version. Basically one has to specify: vdw_corr = 'grimme-d3' in system namelist you can find more details and options here http://www.quantum-espresso.org/Doc/INPUT_PW.html#idm45922794348896 On 02/08/2018 08:02, LEUNG Clarence wrote:
Dear QE users, Is the DFT-D3 is implemented in QE 5.3 version? And how to use? Thanks. Clarence City University of Hong Kong _______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
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