There might be a problem in your fdf file. You have not correctly organised the atomic coordinate and atomic species block .
On 6/12/17, Esmaeil Farajpour Bonab <[email protected]> wrote: > Dear All, > > I am trying to optimize a molecular complex system using Siesta code but > unfortunately I got an error as following: > > ERROR > > FDF module: fdf_read: %endblock AtomicCoordinatesAndAtomicSpecies not > found in INPUT_TMP.43931 > > File: fdf.F90 > Line: 1020 > ************************************************************* > Stopping Program > > I wonder if someone gives me any suggestion to fix this problem. > > Regards, > Esmaeil. >
