[Wien] Formula to calculate Lattice Constant and angle of BiFeO3

Mian Fayyaz Ahmad fayyaz.pc at gmail.com
Mon Jun 23 04:41:06 CEST 2014


*Respected, Wien2K Community*
*   I want to **calculate Lattice Constant and angle of BiFeO3 in space
group P1( Triclinic ). I have done volume optimization. I found a formula
[V = abc( 1-cos**2alpha -**cos**2beta**- **cos**2gamma**+2***cos alpha***cos
beta***cos gamma)**1/2]. I found only volume in volume optimization. How
can i found lattice parameters a, b , c and angles??? *
*please help me in this regard.*
*thanks in advance*
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