~~NOTOC~~ ====== Examples : EAM Potentials ====== ---- //**Warning:**// This is an example potential. Please do NOT use it for any real simulations! This is an EAM potential that can be used in //potfit//. It makes use of the **global parameters** and **smooth cutoff** features. #F 0 3 #T EAM #I 0 0 0 #E global 1 h 1 0.5 2 type morse_sc cutoff 6.0 D_e 0.10 0.00 1.00 a 2.00 1.00 5.00 r_e 2.50 1.00 5.00 h! type csw2_sc cutoff 6.0 a 0.20 -2.00 2.00 alpha 2.00 1.00 6.00 phi 0.00 0.00 6.30 beta 3.00 0.50 5.00 h! type bjs cutoff 6.0 F_0 -1.00 -10.00 0.00 gamma 2.00 0.10 2.00 F_1 2.00 1.00 5.00 The pair and transfer functions (''morse_sc'' and ''csw2_sc'') both use the smooth cutoff feature. The cutoff parameter ''h'' is shared by using a global parameter. ==== makeapot ==== The example potential can be generated with the following ''makeapot'' command: makeapot -n 1 -i eam -g -f morse_sc csw2_sc bjs