Your system must be inside the unitcell in the transport direction. This means you must move the atoms to 0,0,0. Then try again. The reason is that the potential ramp is placed geometrically in the unit cell as though the electrodes starts/ends at z=0, z=c.
Kind regards Nick 2013/11/3 zgp121 <[email protected]> > Dear transiesta users: > > When I use the .VT for 1.0V minus the .VT for 0.0V, I should have 0.5 eV > for left electrode and -0.5eV for right electrode. But the resluts are very > strange for the left electrode as attached. The input files are also > attached. In addition, this is a Gamma point calculation due to a large > area in the xy plane. > > Can someone point out what wrong? > > Thanks. > > Guangping > > 2013-11-03 > ------------------------------ >
