Thank you for your reply, This option requires implementation in the "constr.f" file, it can not be activated by using position keyword in the input file, if you edit the "constr.f" file and you find this option implemented there, can you please send it to me, again thank you for your reply,
regards, sufian alnemrat > 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 >
