Re: [SIESTA-L] Transietsa/sisl problem

Den man. 18. maj 2020 kl. 22.00 skrev El-abed Haidar < ehai2...@uni.sydney.edu.au>: > A follow up question if I may: > > TO make sure we can use ssil should the fdf file contain TBT.DOS.A.All > true and TBT.CDF.MPI true (for parallel job) ? > > Would those be enough? Any other blocks or command

Re: [SIESTA-L] Transietsa/sisl problem

Could you try with: sgeom instead of sdata? That forces the interpreter to recognize geometry output settings. Den man. 18. maj 2020 kl. 22.02 skrev shirin zandi < shirinzandi1...@gmail.com>: > Dear Nick, > > Many thanks. > > I did the data por.TBT.nc --info command and