hello siesta user, I use supercell block to generate supercells in fdf file and then i use UseStructFile .true. in order to make siesta to read the co-ordinates from file.STRUCT_IN.... but every time the siesta gives me an error you have to specify atomic co-ordinates
But when i use MD.UseStructFile .true. siesta reads the co-ordinates...... But still in the user guide the above one is written...... I think UseStructFile .true. is in coorect way..... Am i right --------------------------------- Unlimited freedom, unlimited storage. Get it now