rgl_potential
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rgl_potential [2010/10/04 13:57] zdech |
rgl_potential [2011/02/18 13:13] (current) |
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| Used form of the interaction and parameters from Riccardo Ferrando: | Used form of the interaction and parameters from Riccardo Ferrando: | ||
| * Philos. Mag. A 59 (1989) 321 | * Philos. Mag. A 59 (1989) 321 | ||
| - | * J.Chem.Phys 122 (2005) 194308 R.Ferrando Ag-Cu,Ag-Ni,Au-Cu,Ag-Au,Ag-Pd,Pd-Pt,Ag-Ni | + | * J.Chem.Phys 122 (2005) 194308 Ag-Cu,Ag-Ni,Au-Cu,Ag-Au,Ag-Pd,Pd-Pt,Ag-Ni |
| ==== Input file with parameters Cdata/RGL.dat: ==== | ==== Input file with parameters Cdata/RGL.dat: ==== | ||
| Line 22: | Line 22: | ||
| ==Cdata/usePotential.in:== | ==Cdata/usePotential.in:== | ||
| - | all Tersoff | + | all RGL |
| freq_of_outputs 5000 | freq_of_outputs 5000 | ||
rgl_potential.1286193420.txt.gz ยท Last modified: 2011/02/18 13:14 (external edit)
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