[Wien] How do I set monoclinic angle beta to monoclinic angle gama
Ghosh SUDDHASATTWA
ssghosh at igcar.gov.in
Mon Jun 27 04:39:36 CEST 2011
Hi,
Please visit the Bilbao Crystallographic server and choose the "Change
Settings" program to change your lattice settings from C2/m symmetry to B2/m
symmetry.
-SGhosh
_____
From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of bs bs
Sent: Sunday, June 26, 2011 3:50 PM
To: Wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] How do I set monoclinic angle beta to monoclinic angle gama
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
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