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_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)
didv_b = True
STM_b = True
#print "DEBUG: didv.shape ", didv.shape
#print "DEBUG: current.shape ", current.shape
# =========== Utils for plotting atoms =========================
# --- the Main Loop - for different WorkFunction (exponential z-decay of current), sample bias Voltages & eta - lorentzian FWHM
STM0 = np.array([])
STM1 = np.array([])
dIdV0 = np.array([])
dIdV1 = np.array([])
for WorkFunction in [WorkFunction]:
WF_decay = 0 # ( tunnelling barrienr doesn't change)
STM0, dIdV0 = PS.MSTM(Vmin,
Vmax,
dV,
WorkFunction,
eta,
eigEn,
tip_r2,
Ratin,
coefs,
orbs=orbs,
s=1.0,
WF_decay=WF_decay)
WF_decay = 1 # ( tunnelling barrier changes 1:1 with applied sample bias)
STM1, dIdV1 = PS.MSTM(Vmin,
Vmax,
dV,
WorkFunction,
eta,
eigEn,
tip_r2,
Ratin,
coefs,