input-files.zip
input-files
NN-TI
NOTE
689 Bytes
harmonic-analysis
ic.lmp
4.7 kB
ic.xml
865 Bytes
ih.lmp
4.7 kB
ih.xml
863 Bytes
min-Ic.data
361.1 kB
min-Ic.xyz
59.5 kB
min-Ih.xyz
59.3 kB
minimization
data.iceic
53.5 kB
data.iceih
53.6 kB
ic.lmp
5.2 kB
ih.lmp
5.2 kB
ti-wrt-T
data.iceic
53.5 kB
data.iceih
53.6 kB
ic.lmp
5.1 kB
ih.lmp
5.1 kB
ti-wrt-lambda
geninput.sh
192 Bytes
getrefxyz.sh
122 Bytes
ic.lmp
4.7 kB
ic.xml
2.8 kB
ih.lmp
4.7 kB
ih.xml
2.8 kB
NOTE
573 Bytes
cp2k-input
NOTE
225 Bytes
basis
BASIS_ADMM
57.5 kB
GTH_BASIS_SETS
120.7 kB
GTH_POTENTIALS
88.0 kB
POTENTIAL
136.0 kB
dftd3.dat
2.0 MB
t_c_g.dat
12.5 MB
in.cp2k
2.5 kB
data-analysis
.ipynb_checkpoints
NOTE
85 Bytes
ice-TI.ipynb
560.5 kB
interface-pinning
NOTE
496 Bytes
continue.lmp
5.7 kB
data.iceih-big
206.5 kB
in.lmp
6.4 kB
plumed.dat
426 Bytes
mbpol-TI
CONFIG.01
243.0 kB
CONTROL
896 Bytes
FIELD
783 Bytes
NOTE
343 Bytes
ic.lmp
4.7 kB
ic.xml
3.0 kB
ih.lmp
4.7 kB
ih.xml
3.0 kB
in.lmp
4.7 kB
min-Ic.data
361.1 kB
min-Ic.xyz
59.4 kB
min-Ih.xyz
59.2 kB
pimd
NOTE
284 Bytes
ic-npt
data.lmp
9.6 kB
iceic-64.xyz
3.3 kB
in.lmp
5.2 kB
input.xml
3.2 kB
ih-npt
data.lmp
9.6 kB
iceih-64.xyz
3.3 kB
in.lmp
5.1 kB
input.xml
3.2 kB
liquid-npt
data.lmp
9.6 kB
in.lmp
5.2 kB
init.chk
3.2 MB
input.xml
3.1 kB