Is the sc2 reasonable?

[fly]

I calculated the current of a system under bias 1.0v ,I found sc2 is  obviously diffrent from the others?Is the sc2 and current reasonable?

# TwoProbe Calculation
# ----------------------------------------------------------------
# sc  0 : q =  480.00000 e
# sc  1 : q =  542.95514 e  dRho = 1.9428E+000
# sc  2 : q =  137.00538 e  dRho = 2.6086E+000
# sc  3 : q =  499.90052 e  dRho = 1.5195E+000
# sc  4 : q =  494.12688 e  dRho = 5.2405E-001
# sc  5 : q =  487.74270 e  dRho = 3.9395E-001
# sc  6 : q =  481.76524 e  dRho = 3.5181E-001
# sc  7 : q =  486.57967 e  dRho = 5.0695E-001
# sc  8 : q =  486.03414 e  dRho = 9.6848E-002
# sc  9 : q =  482.53931 e  dRho = 2.3964E-001
# sc 10 : q =  487.40306 e  dRho = 2.5438E-001
# sc 11 : q =  483.19251 e  dRho = 1.6260E-001
# sc 12 : q =  484.78357 e  dRho = 7.8402E-002
# sc 13 : q =  484.95686 e  dRho = 7.4214E-002
# sc 14 : q =  484.38713 e  dRho = 5.7788E-002
# sc 15 : q =  484.82255 e  dRho = 2.3814E-002
# sc 16 : q =  484.56822 e  dRho = 1.5125E-002
# sc 17 : q =  484.61513 e  dRho = 6.7451E-003
# sc 18 : q =  484.61671 e  Etot = -1525.69294 Ry  dRho = 4.2121E-003
# sc 19 : q =  484.59442 e  Etot = -1525.68591 Ry  dRho = 2.9226E-003  dEtot = 7.0290E-003 Ry
# sc 20 : q =  484.58401 e  Etot = -1525.68434 Ry  dRho = 9.1391E-004  dEtot = 1.5712E-003 Ry
# sc 21 : q =  484.57112 e  Etot = -1525.68072 Ry  dRho = 8.5794E-004  dEtot = 3.6167E-003 Ry
# sc 22 : q =  484.57337 e  Etot = -1525.68224 Ry  dRho = 4.0889E-004  dEtot = -1.5224E-003 Ry
# sc 23 : q =  484.57343 e  Etot = -1525.68308 Ry  dRho = 2.8450E-004  dEtot = -8.4266E-004 Ry
# sc 24 : q =  484.57499 e  Etot = -1525.68385 Ry  dRho = 2.2029E-004  dEtot = -7.6202E-004 Ry
# sc 25 : q =  484.57662 e  Etot = -1525.68419 Ry  dRho = 1.3115E-004  dEtot = -3.4490E-004 Ry
# sc 26 : q =  484.57561 e  Etot = -1525.68363 Ry  dRho = 1.6962E-004  dEtot = 5.6395E-004 Ry
# sc 27 : q =  484.57762 e  Etot = -1525.68396 Ry  dRho = 1.6974E-004  dEtot = -3.3156E-004 Ry
# sc 28 : q =  484.57861 e  Etot = -1525.68402 Ry  dRho = 1.2147E-004  dEtot = -6.1062E-005 Ry
# sc 29 : q =  484.57866 e  Etot = -1525.68372 Ry  dRho = 1.9630E-004  dEtot = 2.9448E-004 Ry
# sc 30 : q =  484.58133 e  Etot = -1525.68289 Ry  dRho = 2.0628E-004  dEtot = 8.3346E-004 Ry
# sc 31 : q =  484.58184 e  Etot = -1525.68264 Ry  dRho = 5.8201E-005  dEtot = 2.4807E-004 Ry
# sc 32 : q =  484.58188 e  Etot = -1525.68252 Ry  dRho = 3.1143E-005  dEtot = 1.2384E-004 Ry
# sc 33 : q =  484.58145 e  Etot = -1525.68228 Ry  dRho = 2.6188E-005  dEtot = 2.4093E-004 Ry
# sc 34 : q =  484.58144 e  Etot = -1525.68221 Ry  dRho = 1.1036E-005  dEtot = 6.7659E-005 Ry
# sc 35 : q =  484.58176 e  Etot = -1525.68222 Ry  dRho = 2.4597E-005  dEtot = -7.1825E-006 Ry
1.83937763181e-011 A

[Anders Blom]

SC2 can behave like this, it's quite common. As long as it recovers and converges to a state with reasonable q (as in your case), there is no problem.

The current is very small, indicating that the system is basically insulating. This has nothing to do with SC2 or q, it just means the transmission is basically zero.

[fly]

Ok. Thank you   

[Nordland]

Agreed with the Anders Blom.

Since the system is not converged to zero charge, then system is properly a quite good insulator.