Tungsten Training Configurations

Refer to Tungsten GAP page for explanation of training configurations included in the databases attached below.

GAP Databases

GAP1: GAP_1.db (1.6 MB) GAP_1.xyz (1.4 MB)
GAP2: GAP_2.db (2.5 MB) GAP_2.xyz (2.5 MB)
GAP3: GAP_3.db (5.3 MB) GAP_3.xyz (6.1 MB)
GAP4: GAP_4.db (20 MB) GAP_4.xyz (20 MB)
GAP5: GAP_5.db (25 MB) GAP_5.xyz (25 MB)
GAP6: GAP_6.db (26 MB) GAP_6.xyz (27 MB)

The .db files above are in ASE DB format, while the .xyz files are in extended XYZ format.

Topic revision: r3 - 08 Jul 2014, WojciechSzlachta
Molecular Modelling

CUni120px.png
Engineering Laboratory

 

Log In
Copyright by the contributing authors. All material on this collaboration platform is the property of the contributing authors.