[SIESTA-L] out.fdf

[Steve Bailey]

Siesta users,   When running many Molecular dynamics steps the out.fdf file is very large due to (useless?) repeated writes of for example the following;   LatticeConstant          1.889726878           Bohr # Above item originally: LatticeConstant          1.000000000     Ang         %block LatticeVectors                                                              24.000     0.000   0.000                                                        0.000    24.000   0.000                                                        0.000     0.000   7.400                                                   %endblock LatticeVectors                                                          %block Supercell                                                                 1   0   0                                                                      0   1   0                                                                      0   0   1                                                                    %endblock Supercell  Any ideas why or how to stop this?                                  Dr. Steve. Bailey Lancs. & Cumb. IoP Branch Secretary. Department of Physics, Lancaster University, Lancaster, LA14YB, UK. [EMAIL PROTECTED] Tel  01524592844 Fax (01524)844037