Dear Siesta Users,
Thank you for checking this message! I tried to modify DM.Tolerance from 1.d-4 to 1.d-3 and H.Tolerance from 1.d-3 to 1.d-2 in "scat.fdf" when using transiesta to calculate the transmission characteristics of semiconductors. DM.Tolerance 1.d-3 # Tolerance in maximum difference H.Tlerance 1.d-2 After I modified them, in the "filename.out" file, It can be seen that the convergence precision has been modified for the accuracy I set??as shown below.redata: DM tolerance for SCF = 0.001 redata: Hamiltonian tolerance for SCF = 0.010000 eV However, when performing SCF iterations, DM.Tolerance and H.Tolerance still uses the default precision (1.d-4 & 1.d-3) to determine whether to converge. The changes I made does not play a role in the modification of the DM and Hamiltonian tolerance. This means that I still can't reduce the precision of DM and Hamiltonian in order to get a rough result. I don't know how to solve this problem. I will be very grateful if you can help me! Best regards?? Lee
