|
bulksi-run.pl
|
script
|
A perl script to run the test.
|
|
MEAMPOT.Si
|
potential
|
Contains the parameters for MEAM Si
potential.
|
|
TBPARAM.Si.Kwon.std
|
potential
|
Contains the parameters for Si-ETB by Kwon
et al.
|
|
TBPARAM.Si.LANL.std
|
potential
|
Contains the parameters for Si-ETB by
Lenosky et al.
|
|
SiCubic.xml
|
particleset
|
Contains an input configuration to
construct a diamond structure with a cubic
lattice. Uses attrib's to add
particle attributes. group is used to
assign an attribute for a species, which is
typically handled by potential classes.
|
|
sw-evn-100K.xml
|
ohmmsapp
|
A main xml file to perform constant energy,
volume and number simulation with SW
potential at 100 K. SW potential is not
generalized for other species and is mainly
for the development and debugging.
|
|
meam-tvn-500K.xml
|
ohmmsapp
|
A main xml file to perform constant energy,
volume and number simulation with MEAM
potential at 500 K. MEAM potentials are
parameterized by T. Lenosky.
|
|
tb-tvn-1000K.xml
|
ohmmsapp
|
A main xml file to perform constant energy,
volume and number simulation with ETB
potential at 500 K.
|
