Hi, You should be able to find this information in several files. 1. In your output file look for 'outcell: Cell vector modules (Ang) :' - this information is printed for every step.
2. In your .STRUCT_OUT file - the last step lattice vectors are printed at the top 3. In your .STRUCT_NEXT_ITER file Kausala From: [email protected] [mailto:[email protected]] On Behalf Of Dr. Amar Bahadur Sent: Wednesday, 12 February 2014 6:11 AM To: [email protected] Subject: [SIESTA-L] reg: lattice constant and lattice vectors optimization Dear Users, As mentioned in Siesta Manual, for Lattice vectors and Lattice constant optimization the flag MD.VariableCell .True. is used. If I use this, where & in which file i will got optimized lattice vectors and lattice constant ? ........... a.bahadur
