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[Chol-Jun Yu <yucj@ghi.rwth-aachen.de>]

Dear Yukihiro Okuno,

I calculated the polarizations of BS and PT from the centrosymetric to 
ferroelectric state gradually. The results of PT were maybe good, but ones of 
BS were confused. What is your advice about the results?

Best regard,

Yu Chol Jun
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Computational Materials Engineering(CME)
Center for Computational Engineering Science(CCES)
Institute of Mineral Engineering(GHI), RWTH Aachen
Mauerstrasse 5, D-52064 Aachen, Germany
Tel: ++49 241 80 94969
Fax: ++49 241 80 92271
e-mail: yucj@ghi.rwth-aachen.de
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 a          Px                Py              Pz           (Pz_a-Pz_0) 
0.0  -0.436866802E+00  -0.436866802E+00  -0.623995633E+00    0.00
0.2  -0.419935541E+00  -0.419935174E+00  -0.799948781E+00   -0.18
0.4  -0.429705051E+00  -0.429705051E+00   0.980243315E+00    1.60 
0.6  -0.429705051E+00  -0.429705051E+00   0.708120489E+00    1.40
0.8  -0.429705051E+00  -0.429705051E+00   0.446881904E+00    1.07
1.0  -0.429705051E+00  -0.429705051E+00   0.184666123E+00    0.80
 a          Px                Py              Pz             (Pz_a-Pz_0)  
delta
0.0     0.126849541E-11   0.178732484E-11  -0.223809051E-11    0.00        
0.2     0.493171932E-11   0.104393554E-11  -0.190817914E+00   -0.19        
0.19
0.4     0.176564535E-12   0.351806603E-14  -0.374954363E+00   -0.37        
0.18
0.6    -0.195197417E-12  -0.192742184E-13  -0.552035818E+00   -0.55        
0.18
0.8     0.343181522E-12   0.103884811E-11  -0.723669638E+00   -0.72        
0.17 
1.0    -0.821058924E-12   0.148630108E-11  -0.889090546E+00   -0.89        
0.17