bipul, Maybe, this is a mistake in the User guide. For SIESTA 2.0 the correct syntax is MD.UseStructFile true
regards, Yurko On 26/10/2007, bipul rakshit <[EMAIL PROTECTED]> wrote: > 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 > > -- Yurko Natanzon PhD Student Henryk Niewodniczański Institute of Nuclear Physics Polish Academy of Sciences ul. Radzikowskiego 152, 31-342 Kraków, Poland Email: [EMAIL PROTECTED], [EMAIL PROTECTED]
