Nathan Triplett

Comparison between vasp and meam of data used in fit of meam potential

Energy(eV) meam - vasp Lattice(ang) meam - vasp Bulk (gPa) meam/vasp/experimental

Silicon

Diamond 0.03 0.03 97/88/98

SC 0.24 0.16

Graphite -0.17 0.14

HCP 0.04 0.35

BCC 0.00 0.17

FCC -0.03 0.44

Boron

Graphite 0.50 -0.07

Diamond -0.01 -0.00 178.5/176/

SC -0.21 -0.01

FCC 0.80 0.28

HCP 0.71 0.18

BCC -0.47 -0.00

SiB

Zincblende 0.43 0.23 110/127/

To cite this page:

<http://www.physics.ohio-state.edu/~triplett/table.html>
[Tuesday, 24-Nov-2009 06:50:21 EST]

Edited by: triplettNOSPAM@pacific.mps.ohio-state.edu on Monday, 22-Sep-2003 10:15:08 EDT

	Energy(eV) meam - vasp	Lattice(ang) meam - vasp	Bulk (gPa) meam/vasp/experimental
Silicon
Diamond	0.03	0.03	97/88/98
SC	0.24	0.16
Graphite	-0.17	0.14
HCP	0.04	0.35
BCC	0.00	0.17
FCC	-0.03	0.44
Boron
Graphite	0.50	-0.07
Diamond	-0.01	-0.00	178.5/176/
SC	-0.21	-0.01
FCC	0.80	0.28
HCP	0.71	0.18
BCC	-0.47	-0.00
SiB
Zincblende	0.43	0.23	110/127/