eigEn,
tip_r2,
Ratin,
coefs,
orbs=orbs,
s=1.0,
px=0.0,
py=0.0,
pz=0.0)
WF_decay = 1 # ( tunnelling barrier changes 1:1 with applied sample bias)
current1 = PS.STM(V,
nV,
WorkFunction,
eta,
eigEn,
tip_r2,
Ratin,
coefs,
orbs=orbs,
s=1.0,
WF_decay=WF_decay)
WF_decay = 0 # ( tunnelling barrienr doesn't change)
current2 = PS.STM(V,
nV,
WorkFunction,
eta,
eigEn,
tip_r2,
Ratin,
coefs,
orbs=orbs,
states_b = True
WF_decay = 0.0
elif ((scan_type == 'STM') or (scan_type == 'STM-single')):
nV = abs(V / dV) + 1
#print "DEBUG: V, nV:", V, nV
current = np.array([
PS.STM(V,
nV,
WorkFunction,
eta,
eigEn,
tip_r,
Ratin,
coefs,
orbs=sample_orbs,
s=tc[0],
px=tc[1],
py=tc[2],
pz=tc[3],
dz2=tc[4],
dxz=tc[5],
dyz=tc[6],
WF_decay=WF_decay)
])
STM_b = True
#print "DEBUG: current.shape ", current.shape
else:
current, didv = PS.MSTM(V,
V_max,
dV,
WorkFunction,
eta,
eigEn,
tip_r1,
tip_r2,
Ratin,
coefs,
orbs=orbs,
dxyz=1.0,
al=1.0)
current5 = PS.STM(V,
nV,
WorkFunction,
eta,
eigEn,
tip_r1,
Ratin,
coefs,
orbs=orbs,
px=0.5,
py=0.5,
WF_decay=WF_decay)
# next procedure is under development
current6 = PS.IETS_simple(V,
WorkFunction,
eta,
eigEn,
tip_r1,
Ratin,
coefs,
orbs=orbs,
s=0.0,