hello I work with wien2k_09 I work on beta Ga2O3.it is monoclinic and it's crystal data is C2/m a=12.214 A b=3.0371 A c=5.7981 A beta=103.83 x y z Ga 0.09050 0 0.7946 Ga 0.15866 0.5 0.31402 O 0.1645 0 0.1098 O 0.1733 0 0.5632 O -0.0041 0.5 0.2566 AND WE KNOW
Only settings with a monoclinic angle gamma (B-setting, or in WIEN-terms a CXZ lattice) are allowed BUT I dont how do I change monoclinic beta to monoclinic gama must I replace only a,b,c or a,b,c,and x,y,z? must I change C2/M? please guide me -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110626/65cb7bb4/attachment.htm>