Hi,
I am tring to get EOS of Rhombohedral phase (R3m-C_3v) of BaTiO3.
But when I enter the shape matrix and direct positions of this sytem(taken from Landolt-Bornstein III/16 a page 67-71) , I got a point group of C_1h.
By the way , I compiled vasp with -DMY_TINY=1E-11 and set SYMPREC=1E-11 in the INCAR.How can I get the right point symmetry?
Yours
Mustafa Uludogan
C_3v point group
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uludogan
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C_3v point group
Last edited by uludogan on Sat Feb 12, 2005 12:30 am, edited 1 time in total.
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C_3v point group
You have to adapt SYMPREC to the precicion which is actually used to read in
all geometry information (Bravais matrix, ions' positions, and -eventually-
MD velocities)
all geometry information (Bravais matrix, ions' positions, and -eventually-
MD velocities)
Last edited by admin on Fri Apr 22, 2005 1:02 pm, edited 1 time in total.