[Pw_forum] how to choose bds in PWCOND?

[Manoj Srivastava]

Dear All, 
 I am confused about choosing bds parameter in the transmission
calculation of PWCOND. My question is about example on Smogunov's website
Monatomic Ni wire with a spin reversal, which can be accessed at
http://people.sissa.it/~smogunov/ 
 The manual says- right boundary of the scatt. reg. (left one is at 0 if
prefixs is used and = bdl if prefixt is used) Now in this example bds is
chosen to be at 1.0, but if I let the system relax and atom at z=1.0 moves
away from z=1, would bds still be equal to 1.0? I am guessing so, but I am
not sure. Would someone mind explaining this?

-Manoj Srivastava 
Department of Physics, 
University of Florida, 
Gainesville, FL