HRMC: Hybrid Reverse Monte Carlo method with silicon and carbon potentials
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Abstract
Fortran 77 code is presented for a hybrid method of the Metropolis Monte Carlo (MMC) and Reverse Monte Carlo (RMC) for the simulation of amorphous silicon and carbon structures. In additional to the usual constraints of the pair correlation functions and average coordination, the code also incorporates an optional energy constraint. This energy constraint is in the form of either the Environment Dependent Interatomic Potential (applicable to silicon and carbon) and the original and modified S...
Title of program: HRMC version 1.0
Catalogue Id: AEAO_v1_0
Nature of problem
Atomic modelling using empirical potentials and experimental data.
Versions of this program held in the CPC repository in Mendeley Data
AEAO_v1_0; HRMC version 1.0; 10.1016/j.cpc.2007.12.007
AEAO_v1_1; HRMC version 1.1; 10.1016/j.cpc.2010.10.023
AEAO_v2_0; HRMC version 2.0; 10.1016/j.cpc.2013.03.004
AEAO_v2_1; HRMC version 2.1; 10.1016/j.cpc.2014.02.025
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
创建时间：
2019-11-11
