ashima29R

Effective masses along two directions are highly anisotropic for a isotropic 2D sheet of GaS. Also the fractional coordinates are not zero for other axis.

4

For GaS 2D monolayer (INPCAR file) -0.1839 0.3678 0.0000 ! K-POINT in the reciprocal crystal coord. (3 floats) 0.001 ! step size in 1/Bohr units (1 float) 36 ! band...