42 lines
539 B
Plaintext
42 lines
539 B
Plaintext
&SIMUL
|
|
irand =
|
|
tstep = 5.d-15 ! in sec
|
|
npas= 50000
|
|
scrivo= 1000
|
|
npast = 5000
|
|
tinit = 324.d0
|
|
type_process = 'quenching'
|
|
vnu = 5.0d11
|
|
filepos = 'toQuench_39.xyz'
|
|
filepot = '../pot.pot'
|
|
mgo_substrate = .false.
|
|
impl_env = .false.
|
|
/
|
|
|
|
&SYSTEM
|
|
type_potential='rgl'
|
|
natom = 39
|
|
elem1 = 'Ag'
|
|
elem2 = 'Ag'
|
|
fattor=1.d0 !leave it
|
|
sys='mon' !mon o bim a secondo che elem1 = elem2 oppure no
|
|
/
|
|
|
|
&GROWTH
|
|
ndepmax = 5
|
|
lcs = 1
|
|
elemd = elem2
|
|
tsorg = 1500.d0
|
|
rad = 15.d0
|
|
/
|
|
|
|
&MELT
|
|
tcaloric = 300.d0
|
|
deltat = 25.d0
|
|
/
|
|
|
|
&QUENCH
|
|
itremp = 10000
|
|
tmin = 1.d-5
|
|
/
|