Dear Rahul -it depends on where the job was terminated(usually, a more precise question leads to a more specific answer). If during the electronic iterations - which so far proceeded reasonably - you can normally start from the .DM file(see that the switch is set UseSaveData T).If during the structure relaxation, you can start from the last .XV file.(See that the switch is set MD.UseSaveXV T). It might be a good idea to remove the Broyden history files.If during the frozen phonons calculation, you have to startthe displacements of the last atom anew, and erase by handthe last added blocks (out of 6, calculated for +/- X/Y/Z displacements of each atom)in the .FC file -set MD.FCfirst accordingly.Best regardsAndrei Postnikov ----- RAHUL SURESH <drrahulsur...@gmail.com> a écrit : >Hi users. The terminal in which the siesta job was running got terminated accidentally. How can I restart the job and how far the results are reliable with restart data file. Thank you -- Regards,Rahul
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
