Hello, Dear transiesta users and developers, I am very grateful that we can have access to Transiesta now. It provides us a very good tool for transport calculations.
However, when I am reading the manual and doing some tests, I find that the parallelization can be done only over K points and the number of processors can not be larger than the number of K points. It means that for a very big system with nanowire as the electrodes where I want to use only 1 k point in the x and y direction, I can only do a serial calculation. It will be very time consuming and definely a bad news. In a usual Siesta calculation, the parallelization can be done either over K points or over orbitals. Even if we can not parallelize over orbitals, I think we should still be able to realize parallel over the energy integration. Thus we can still use many processors to speed up the calculations. How can we realize this (parallel energy integration), please? Sincerely, Yusia
