[CP2K-user] [CP2K:22077] DFTD3 scaling - possible bug

[Bram Van der Linden]

Dear,

According to the manual, the D3_SCALING is 0 by default, which will make 
cp2k determine s6,sr6,s8 automatically. However, if you do specify this 
parameter as D3_SCALING     0.0000000000000000E+00   
 0.0000000000000000E+00    0.0000000000000000E+00, zeroes are taken for all 
coefficients. 

With kind regards,

Bram

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