Provides the following main XC routines:
gridxc_init ! Initialization
gridxc_atomXC ! XC for a spherical charge distribution
gridxc_cellXC ! XC for a periodic unit cell
gridxc_setXC ! Sets XC functional(s) to be used by atomXC and/or cellXC
(For the latter there are two simpler alternatives:
gridxc_setxc_family_authors(family,authors)
gridxc_setxc_libxc_ids(nfuncs,libxc_ids)
)
gridxc_getXC ! Returns the XC functional(s) being used
Real kinds (precision) of arguments to call atomxc and cellxc
grid_p ! Precision for grid arrays to call cellxc
Secondary entry points for testers and lower-level programming
gridxc_ldaxc ! LDA-XC functionals
gridxc_ggaxc ! GGA-XC functionals
Extra utilities placed here for non-siesta users
See correspondig modules in the source for usage documentation
gridxc_nfft ! Get allowed sizes for FFTs (for VDW functionals)
setMeshDistr ! Set a distribution of mesh points over processors
myMeshBox ! Get my processor mesh box
setDebugOutputUnit ! Initialize debug report
closeDebugOutputFile ! Print debug report