I don't know if vibra can handle restarts, but you simply change the FCfirst flag. You possibly have to rename the new files.
-- Kind regards Nick Papior On 9 Oct 2015 05:52, "Radhika Narayanan" <[email protected]> wrote: > Dear all, > > Could anyone suggest how to restart a Force Constant calculation in > Siesta? I have used the following parameters in the FC calculation > > MD.FCfirst 1 > MD.FClast 300 > UseSaveData true > > The calculation stopped at FC step =644, while displacing atom 108 in the > X-direction. > > Thanks > Radhika >
