[DFTB-Plus-User] Slater-Koster files

Georgeta Ungureanu georgeta27 at gmail.com
Tue Oct 7 19:08:34 CEST 2014


Hello

Can someone indicates me any Slater-Koster file without repulsive
interactions/with zero repulsive terms?
I tried already to build one but I cannot remove the splines.
This is the 1'st part data block of Slater-Koster file:

0.02, 10
0.0    -0.19435511 -0.50489172, -0.0439, 0.341975   0.387425 , 0.3647 0.0
2.0 2.0
12.01, 9*0.0
20*1.0,
20*1.0,
20*1.0,
20*1.0,
20*1.0,
20*1.0,
20*1.0,
20*1.0,
20*1.0,
Spline
3 4.3
0.0000000000    0.0000000000    0.0000000000
1.2 2.12    3.344853 -8.185615473079642 8.803750000000022 1.68154567477936
2.12 3.4    0.304864 -0.8787758072305507 1.097634414621329
-0.7841058464386423
3.4 4.3    0.016 -0.006590813456982203 -0.02356970905317782
-0.09209220073124012 0.2061755069509315 -0.1001089592255145

Thank you,
Georgeta
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