Please, take a look in section *6.4.4 Input of structural information from external* files of SIESTA manual (v4.1-b4).
[]'s, Camps On Thu, Jan 16, 2020 at 6:00 PM D. Bennett <[email protected]> wrote: > Dear siesta users, > > I have a very quick technical question: is it possible to use a .fdf > file and specify the lattice and atomic coordinates only from a .XV > file? When I run with MD.UseSaveXV true and without LatticeVectors and > AtomicCoordinatesAndAtomicSpecies blocks, siesta complains that I > haven't specified atomic coordinates. I guess it reads them from the > .fdf file first and then overwrites from the .XV file? > > Thanks, > > Danny Bennett > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence (http://www.max-centre.eu/) >
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
