Dear Nick and other expert users, I have read the manual of truck-424 about the TranSIESTA part and the update document for TranSIESTA/TBtrans, but I have yet some questions.
(1) the update document say NPoles + NCircle + NLine and/or NumPoints if a voltage applied have better to be divisible by the number of processor.Does this mean the TranSIESTA parallels on the energy points above? Can it parallel on basis orbitals and k-points as is siesta? (2) The TBTrans now can parallel over the energy points spectified by TS.TBT.NPoints and the k-points. As the energy points parallelisation is full and the k-points parallelisation is partial, is it better to have TS.TBT.NPoints divisible by the number of processor prior to the k-points? Because a divisible k-points by the number of k-poins is adviced in previous version. (3) Whether the new added subroutines of AtomPDOS and COOP are also parallelized? (4) Whether the output data for AtomPDOS and COOP are averaged over the k-points? Please give some hints and instructions. Best regards. Guang-Ping 2012-11-01 Guangping Zhang
