Hi everyone,
Sorry for asking so many problems, but I am helpless for the problem is
always happened when I want to calculate a voltage as small as 0.01 V.
I was using Transiesta to calculate an I-V curveļ¼ but whenever my voltage is
less than 0.01V, the Transiesta would quit out automatically at the part of
"----- DISTRIBUTION OF ENERGY POINTS AMONG PROCESSORS -----".
When I set the voltage as 0.01 V, it will come up with some "****" at the
row of Read-ins and the "Total no. points to read:" is strange. It should be
"Total no. points to read: 94 94" if the calculation is right.
The following part is cut off from the output file, I've underlined the
strange parts with red color.
contour: -2.05412 0.08927 -0.008712343 -0.100016394 15
contour: -2.05786 0.01709 -0.000727560 -0.043782239 16
42 energy points
42 42
----- DISTRIBUTION OF ENERGY POINTS AMONG PROCESSORS -----
Node Point Part Read-ins ZEnergy Weight
0 1 L 1 0.00000 0.00020 0.00000 -0.00040
0 2 L 1 0.00000 0.00060 0.00000 -0.00040
0 38 L 1 -1.87887 0.58004 0.13603 0.19924
0 39 L 1 -1.98329 0.38486 0.07519 0.18639
0 40 L 1 -2.03526 0.21510 0.03209 0.15007
0 41 L 1 -2.05412 0.08927 0.00871 0.10002
0 42 L 1 -2.05786 0.01709 0.00073 0.04378
0 43 R 242 0.00000 0.00000 0.00000 0.00000
0 44 R 1 0.00000 0.00000 0.00000 0.00020
0 45 R ***** 0.00000 0.00000 0.00000 0.00060
0 46 R 1 0.00000 0.00000 0.00000 0.00099
0 47 R ***** 0.00000 0.00000 0.00000 0.00139
0 48 R 1 0.00000 0.00000 0.00000 0.00179
0 91 V ***** -0.01262 0.00017 0.00000 0.00000
0 92 V 1 0.00951 -0.00192 0.00000 0.00000
0 93 V 142 0.00017 -0.01569 0.00000 0.00000
0 94 V 143 -0.01719 0.01658 0.00000 0.00000
Total no. points: 94
Total no. points to read: -198699407 94
Apart from this, I'd tried the 0.001 V , but it was automatically regard as
0 V in the calculation.
I compare the output file of 0.001V and 0V , find that both of them have the
same "DISTRIBUTION OF ENERGY POINTS AMONG PROCESSORS" as following:
42 energy points
42 42
----- DISTRIBUTION OF ENERGY POINTS AMONG PROCESSORS -----
Node Point Part Read-ins ZEnergy Weight
0 1 N 1 0.00000 0.00020 0.00000 -0.00040
0 2 N 1 0.00000 0.00060 0.00000 -0.00040
0 3 N 1 0.00000 0.00099 0.00000 -0.00040
0 4 N 1 0.00000 0.00139 0.00000 -0.00040
0 5 N 1 0.00000 0.00179 0.00000 -0.00040
........
I thought that N meaning none voltage.
I am upset with the problem for a long time.
Waiting for your helps.
Thanks !
Holin Chen
