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If a reference structure was diamond and the Cmin value was lower than 0.5, LAMMPS calculation shows different result with KISSMD calculation.

Please check the attachments.


LAMMPS Examples

for 2NN MEAM

List of Articles
번호 제목 글쓴이 날짜 조회 수
15 Potential parameter files for Fe-H binary system file friendjsp 2016.03.13 2369
14 Potential parameter files for Fe-P binary system file 김경민 2016.03.01 1932
13 Potential parameter files for Al-H binary system file 김경민 2015.10.03 2179
12 LAMMPS example files for Fe-Ti-C system file Admin 2015.08.26 2631
11 LAMMPS example files for Fe-Mn system file Admin 2015.04.27 6052
10 KISSMD example files for Fe-Mn system file Admin 2015.04.27 4992
9 Potential parameter files for Ti-C and Ti-N binary system 2 file kimkikid 2015.03.02 3456
8 Potential parameter files for pure Mg and Mg-X binary system file Admin 2014.11.10 3452
7 KISSMD example files for Fe-C system file Admin 2014.04.16 2686
6 2NN MEAM LAMMPS to kissmd conversion file 이은구 2014.04.08 5992
» Modification of 2NN MEAM for diamond structure in LAMMPS file kimkikid 2014.03.24 4319
4 Potential parameter files for Zr-H binary system file 김경민 2014.02.25 2459
3 Potential parameter files for V-Pd-Y ternary system file 고원석 2014.01.23 3634
2 Conversion Program 3 file Admin 2013.08.15 9857
1 LAMMPS example files for Fe-C system file Admin 2013.08.15 7677
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