dear sufian alnemrat,
you can use this command "position #the number of atom in appropriate layer# " in your input file to make such constraints , plz study page 87 of siesta-manuall ________________________________ From: "[email protected]" <[email protected]> To: [email protected] Sent: Saturday, September 1, 2012 3:46 PM Subject: [SIESTA-L] Constraints Dear Users I am using siesta-3.0-rc2 version, I tried to add position constraints to the "constr.f" file to fix the bottom layer of ZnO slap but continuously i get errors in constr.f during recompilation, does anyone who implemented that successfully for a similar case or for general fix atoms position case share his implementation, thank you in advance best regards, sufian alnemrat
