rgl_potential
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Table of Contents
RGL potential
defined in DASSEMBLERS/getforce_classic_RGL.f90
Used form of the interaction and parameters from Riccardo Ferrando:
- 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
Example of file with parameters Cdata/RGL.dat:
# [ alpha, p, q, A, dzeta, ro in bulk, Z (n. of neigh) cutoff ] Pd-Pd params = [ 0.5 , 11.0, 3.794, 0.171493045, 1.70187320776, 2.750645, 8, 4.15 ]
The biatomical case not yet debugged !
rgl_potential.1270742974.txt.gz · Last modified: 2011/02/18 13:14 (external edit)
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