VASPBERRY : Berry curvature calculation code for VASP output

VASPBERRY Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code. VASPBERRY is written for the post-processing pur pose of the VASP outputs, i.e., WAVECAR the Bloch wavefunction infor mation. VASPBERRY can compute Berr y cur vature and Cher n number via Fukui's method [S ee J. Phys. S oc. Jap. 74, 1674 (2005)]. In addition Circular dichroism also can be evaluated. Since it directly reads the wavefunction coefficients, one can also obtain real space wavefunction character psi_nk(r) by simple command. Compile Serial version : ifort -fpp -assume byterecl -mkl -o vaspberry vaspberry.f Multicore version : mpif90 -DMPI_USE -mkl -fpp -assume byterecl -o vaspberry vaspberry.f Features Berry curvature calculation Compute Chern number for certain band(s) Circular dichroism (optical selectivity response to the circulary polarized light) Wavefunction plot (Gamma point only in the current version) Example 1H-MoS2 : Berry curvature and Chern number Quantum Anomalous Hall effect (Trypheny-lead lattice) : See H.-J. Kim, C. Li, J. Feng, J.-H. Cho, and Z. Zhang, PRB 93, 041404(R) (2016) (the example files will be provided upon request)