[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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