Re: Bond angles restraints in GSAS

2008-10-06 Thread doebbler
Matteo, I would go in and check the listing to see what restraints that GSAS 'thinks' it has for the angles. If the distance between atoms are more than 2 angstroms or so, sometimes GSAS does not 'see' them and therefore they don't end up being restrained in the refinement. After you load the

Bond angles restraints in GSAS

2008-10-06 Thread Matteo Zoppi
Dear Rietvelders, does anyone please let me know if there are some mistakes one can do when trying to use both bond lengths and angles restraints in GSAS? It is probably something trivial. I can't find why, when I try to refine a structure (monoclinic or triclinic) with bond angles restraint