[Smeagol-discuss] problems on HartreeLeadsBottom
wlxyfeng at mail.ustc.edu.cn
wlxyfeng at mail.ustc.edu.cn
Wed Oct 22 16:19:50 IST 2008
Dear all,
I did calculations about one smeagol examples, i.e.
smeagol1.0\Examples\gamma\leads, and run the Pot.exe to get the value of
HartreeLeadsBottom. I just need change the system label in the potential.dat
before run the Pot.exe, but can't get the value given in the transport calculation
file -0.705eV. The result is as follows:
0.117 -1.16485095 -1.16485095 -0.67071229 -0.67071229 -0.67071229
0.233 -1.10024977 -1.10024977 -0.67071241 -0.67071241 -0.67071241
0.350 -1.00253618 -1.00253618 -0.67071241 -0.67071241 -0.67071241
0.467 -0.88363814 -0.88363814 -0.67071229 -0.67071229 -0.67071229
0.583 -0.75586247 -0.75586247 -0.67071229 -0.67071229 -0.67071229
0.700 -0.63015914 -0.63015914 -0.67071241 -0.67071241 -0.67071241
0.817 -0.51507401 -0.51507401 -0.67071229 -0.67071229 -0.67071229
0.933 -0.41659743 -0.41659743 -0.67071241 -0.67071241 -0.67071241
1.050 -0.33824369 -0.33824369 -0.67071241 -0.67071241 -0.67071241
1.166 -0.28174159 -0.28174159 -0.67071241 -0.67071241 -0.67071241
1.283 -0.24770230 -0.24770230 -0.67071229 -0.67071229 -0.67071229
1.400 -0.23630986 -0.23630986 -0.67071229 -0.67071229 -0.67071229
1.516 -0.24770057 -0.24770057 -0.67071229 -0.67071229 -0.67071229
1.633 -0.28174126 -0.28174126 -0.67071229 -0.67071229 -0.67071229
1.750 -0.33824453 -0.33824453 -0.67071229 -0.67071229 -0.67071229
1.866 -0.41659725 -0.41659725 -0.67071241 -0.67071241 -0.67071241
1.983 -0.51507699 -0.51507699 -0.67071229 -0.67071229 -0.67071229
2.100 -0.63016003 -0.63016003 -0.67071241 -0.67071241 -0.67071241
2.216 -0.75586510 -0.75586510 -0.67071241 -0.67071241 -0.67071241
2.333 -0.88363773 -0.88363773 -0.67071241 -0.67071241 -0.67071241
2.450 -1.00253141 -1.00253141 -0.67071241 -0.67071241 -0.67071241
2.566 -1.10024989 -1.10024989 -0.67071241 -0.67071241 -0.67071241
2.683 -1.16484952 -1.16484952 -0.67071241 -0.67071241 -0.67071241
2.800 -1.18747699 -1.18747699 -0.67071241 -0.67071241 -0.67071241
2.916 -1.16485095 -1.16485095 -0.67071229 -0.67071229 -0.67071229
3.033 -1.10024977 -1.10024977 -0.67071241 -0.67071241 -0.67071241
3.150 -1.00253618 -1.00253618 -0.67071241 -0.67071241 -0.67071241
3.266 -0.88363796 -0.88363796 -0.67071229 -0.67071229 -0.67071229
3.383 -0.75586247 -0.75586247 -0.67071229 -0.67071229 -0.67071229
3.499 -0.63015914 -0.63015914 -0.67071241 -0.67071241 -0.67071241
3.616 -0.51507401 -0.51507401 -0.67071229 -0.67071229 -0.67071229
3.733 -0.41659743 -0.41659743 -0.67071241 -0.67071241 -0.67071241
3.849 -0.33824369 -0.33824369 -0.67071241 -0.67071241 -0.67071241
3.966 -0.28174159 -0.28174159 -0.67071241 -0.67071241 -0.67071241
4.083 -0.24770230 -0.24770230 -0.67071229 -0.67071229 -0.67071229
4.199 -0.23630986 -0.23630986 -0.67071229 -0.67071229 -0.67071229
4.316 -0.24770057 -0.24770057 -0.67071229 -0.67071229 -0.67071229
4.433 -0.28174126 -0.28174126 -0.67071229 -0.67071229 -0.67071229
4.549 -0.33824453 -0.33824453 -0.67071229 -0.67071229 -0.67071229
4.666 -0.41659725 -0.41659725 -0.67071241 -0.67071241 -0.67071241
4.783 -0.51507699 -0.51507699 -0.67071229 -0.67071229 -0.67071229
4.899 -0.63016003 -0.63016003 -0.67071241 -0.67071241 -0.67071241
5.016 -0.75586510 -0.75586510 -0.67071241 -0.67071241 -0.67071241
5.133 -0.88363773 -0.88363773 -0.67071241 -0.67071241 -0.67071241
5.249 -1.00253141 -1.00253141 -0.67071241 -0.67071241 -0.67071241
5.483 -1.16484952 -1.16484952 -0.67071241 -0.67071241 -0.67071241
5.716 -1.16485095 -1.16485095 -0.67071229 -0.67071229 -0.67071229
5.832 -1.10024977 -1.10024977 -0.67071241 -0.67071241 -0.67071241
5.949 -1.00253618 -1.00253618 -0.67071241 -0.67071241 -0.67071241
6.066 -0.88363814 -0.88363814 -0.67071229 -0.67071229 -0.67071229
6.182 -0.75586247 -0.75586247 -0.67071229 -0.67071229 -0.67071229
6.299 -0.63015914 -0.63015914 -0.67071241 -0.67071241 -0.67071241
6.416 -0.51507401 -0.51507401 -0.67071229 -0.67071229 -0.67071229
6.532 -0.41659743 -0.41659743 -0.67071241 -0.67071241 -0.67071241
6.649 -0.33824369 -0.33824369 -0.67071241 -0.67071241 -0.67071241
6.766 -0.28174159 -0.28174159 -0.67071241 -0.67071241 -0.67071241
6.882 -0.24770230 -0.24770230 -0.67071229 -0.67071229 -0.67071229
6.999 -0.23630986 -0.23630986 -0.67071229 -0.67071229 -0.67071229
7.116 -0.24770057 -0.24770057 -0.67071229 -0.67071229 -0.67071229
7.232 -0.28174126 -0.28174126 -0.67071229 -0.67071229 -0.67071229
7.349 -0.33824453 -0.33824453 -0.67071229 -0.67071229 -0.67071229
7.466 -0.41659725 -0.41659725 -0.67071241 -0.67071241 -0.67071241
7.582 -0.51507699 -0.51507699 -0.67071229 -0.67071229 -0.67071229
7.699 -0.63016003 -0.63016003 -0.67071241 -0.67071241 -0.67071241
7.816 -0.75586510 -0.75586510 -0.67071241 -0.67071241 -0.67071241
7.932 -0.88363773 -0.88363773 -0.67071241 -0.67071241 -0.67071241
8.049 -1.00253141 -1.00253141 -0.67071241 -0.67071241 -0.67071241
8.165 -1.10024989 -1.10024989 -0.67071241 -0.67071241 -0.67071241
8.282 -1.16484952 -1.16484952 -0.67071241 -0.67071241 -0.67071241
8.399 -1.18747699 -1.18747699 -0.67071241 -0.67071241 -0.67071241
8.515 -1.16485095 -1.16485095 -0.67071229 -0.67071229 -0.67071229
8.632 -1.10024977 -1.10024977 -0.67071241 -0.67071241 -0.67071241
8.749 -1.00253618 -1.00253618 -0.67071241 -0.67071241 -0.67071241
8.865 -0.88363796 -0.88363796 -0.67071229 -0.67071229 -0.67071229
8.982 -0.75586247 -0.75586247 -0.67071229 -0.67071229 -0.67071229
9.099 -0.63015914 -0.63015914 -0.67071241 -0.67071241 -0.67071241
9.215 -0.51507401 -0.51507401 -0.67071229 -0.67071229 -0.67071229
9.332 -0.41659743 -0.41659743 -0.67071241 -0.67071241 -0.67071241
9.449 -0.33824369 -0.33824369 -0.67071241 -0.67071241 -0.67071241
9.565 -0.28174159 -0.28174159 -0.67071241 -0.67071241 -0.67071241
9.682 -0.24770230 -0.24770230 -0.67071229 -0.67071229 -0.67071229
9.799 -0.23630986 -0.23630986 -0.67071229 -0.67071229 -0.67071229
9.915 -0.24770057 -0.24770057 -0.67071229 -0.67071229 -0.67071229
10.032 -0.28174126 -0.28174126 -0.67071229 -0.67071229 -0.67071229
10.149 -0.33824453 -0.33824453 -0.67071229 -0.67071229 -0.67071229
10.265 -0.41659725 -0.41659725 -0.67071241 -0.67071241 -0.67071241
10.382 -0.51507699 -0.51507699 -0.67071229 -0.67071229 -0.67071229
10.498 -0.63016003 -0.63016003 -0.67071241 -0.67071241 -0.67071241
10.615 -0.75586510 -0.75586510 -0.67071241 -0.67071241 -0.67071241
10.732 -0.88363773 -0.88363773 -0.67071241 -0.67071241 -0.67071241
10.848 -1.00253141 -1.00253141 -0.67071241 -0.67071241 -0.67071241
10.965 -1.10024989 -1.10024989 -0.67071241 -0.67071241 -0.67071241
11.082 -1.16484952 -1.16484952 -0.67071241 -0.67071241 -0.67071241
What's the probles with my results? Thansk a lot!
All my best regards!
Yours respectively
Xiaoyan
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