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a = 6.388325, b = 5.179789 and c = 4.643123 A
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type of calculation              :  geometry optimization
plane wave basis set cut-off     :  600.0000   eV
using functional                 :  Perdew Wang (1991)

Number of iterations             :  95
Energy                           :  -6.24013736E+003  eV
Convergence                      :  2.517200E-007  eV/atom
Max. Displacement                :  2.911862E-005  A
Max. Force                       :  9.558906E-003  eV/A
Max. Stress                      :  1.719074E-002  GPa

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type of calculation              :  geometry optimization
plane wave basis set cut-off     :  600.0000   eV
using functional                 :  Perdew Wang (1991)

Number of iterations             :  95
Energy                           :  -6.24013736E+003  eV
Convergence                      :  2.517200E-007  eV/atom
Max. Displacement                :  2.911862E-005  A
Max. Force                       :  9.558906E-003  eV/A
Max. Stress                      :  1.719074E-002  GPa

[ Last edited by xyzmuch on 2010-5-19 at 09:48 ]
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