Hi I have a few questions regarding the output from Transiesta and TBTrans
TBTrans: 1)How can i specify the atoms only on which i need to calculate the PDOS. In most cases we would need the PDOS only on the molecule. How to provide this input to the TBTrans program Transiesta 1) How can i plot the electron density and hartree potential as a function of z axis which is the transport direction (averaged over the x-y direction) for just DFT calculation and for a calculation after NEGF It will be of great help if you can help me to solve these problems. Thank you to everyone in advance for taking time off your schedule to help me. Regards Janakiraman Balachandran (Ram) Research Assistant Computational Material Physics Group Dept of Mechanical Engineering 2350 Hayward St, #2250 G.G Brown Building Ann Arbor, MI 48109
