This c++ code converts the 3D-wavefunctions files generated by LOBSTER (www.cohp.de) to xsf files that can be visualized by xcrysden (www.xcrysden.org). The only external library needed is Eigen (eigen.tuxfamily.org). To compile, you just need to execute the compiling file, i.e. comp.
rnels12 / lobsterwf2xsf Goto Github PK
View Code? Open in Web Editor NEWgenerates xsf-format files from lobster 3D-wavefunctions files