Dear all, I've performed all of the computations of the agnr8-transiesta: http://unam.bilkent.edu.tr/mt2/transiesta/agnr8-transiesta
Finally, I find the IV.dat of mine is so different with the ones obtained by Dr. Mehmet Topsakal. See below for detail: Mine: --------------- 0.00000000E+00 0.00000000E+00 1.00000000E-01 1.34166832E-14 2.00000000E-01 1.08989035E-10 3.00000000E-01 4.54645085E-10 4.00000000E-01 9.81827403E-10 5.00000000E-01 1.87137462E-09 6.00000000E-01 1.59893229E-06 7.00000000E-01 5.02295204E-06 8.00000000E-01 9.49145687E-06 9.00000000E-01 1.44080252E-05 1.00000000E+00 1.96238680E-05 1.10000000E+00 2.50416650E-05 1.20000000E+00 3.05417928E-05 1.30000000E+00 3.62491969E-05 1.40000000E+00 4.22015347E-05 1.50000000E+00 4.82829806E-05 1.60000000E+00 5.44096374E-05 1.70000000E+00 6.06171054E-05 1.80000000E+00 6.68750952E-05 --------------- Mehmet Topsakal's --------------- 0.00000000E+00 0.00000000E+00 1.00000000E-01 6.70780453E-15 2.00000000E-01 5.44893525E-11 3.00000000E-01 2.27311174E-10 4.00000000E-01 4.90882490E-10 5.00000000E-01 9.35622770E-10 6.00000000E-01 7.99442753E-07 7.00000000E-01 2.51139974E-06 8.00000000E-01 4.74561224E-06 9.00000000E-01 7.20383557E-06 1.00000000E+00 9.81166340E-06 1.10000000E+00 1.25205252E-05 1.20000000E+00 1.52704709E-05 1.30000000E+00 1.81245485E-05 1.40000000E+00 2.11003589E-05 1.50000000E+00 2.41399363E-05 1.60000000E+00 2.72042352E-05 1.70000000E+00 3.03084499E-05 1.80000000E+00 3.34370882E-05 --------------- I use tbtrans shipped with siesta-3.0-rc2, while Topsakal use the one of 3.0-b. Any hints on these differences. Regards. -- Hongsheng Zhao <hongyi.z...@gmail.com> School of Physics and Electrical Information Science, Ningxia University, Yinchuan 750021, China GnuPG DSA: 0xD108493 2011-3-22
