[Wien] Electronic polarization with mBJ

Dear Wien2k Community: I wonder if mBJ can be useful in calculation of polarization-related properties. There are narrow gap semiconductors (like InN), which turn into semi-metals with a pure LDA. For polarization calculations we need a finite band gap, so LDA+mBJ could be an option. However, it

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

*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