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program xcinfo
use xc_f90_lib_m
implicit none
TYPE(xc_f90_func_t) :: xc_func
TYPE(xc_f90_func_info_t) :: xc_info
TYPE(xc_f90_func_reference_t) :: xc_ref
integer :: i, number
character(len=120) :: s1, s2
call xc_f90_func_init(xc_func, XC_GGA_C_PBE, XC_UNPOLARIZED)
xc_info = xc_f90_func_get_info(xc_func)
select case(xc_f90_func_info_get_kind(xc_info))
case(XC_EXCHANGE)
write(*, '(a)') 'Exchange'
case(XC_CORRELATION)
write(*, '(a)') 'Correlation'
case(XC_EXCHANGE_CORRELATION)
write(*, '(a)') 'Exchange-correlation'
case(XC_KINETIC)
write(*, '(a)') 'Kinetic'
end select
s1 = xc_f90_func_info_get_name(xc_info)
select case(xc_f90_func_info_get_family(xc_info))
case (XC_FAMILY_LDA); write(s2,'(a)') "LDA"
case (XC_FAMILY_HYB_LDA); write(s2,'(a)') "Hybrid LDA"
case (XC_FAMILY_GGA); write(s2,'(a)') "GGA"
case (XC_FAMILY_HYB_GGA); write(s2,'(a)') "Hybrid GGA"
case (XC_FAMILY_MGGA); write(s2,'(a)') "MGGA"
case (XC_FAMILY_HYB_MGGA); write(s2,'(a)') "Hybrid MGGA"
case (XC_FAMILY_LCA); write(s2,'(a)') "LCA"
end select
write(*, '(4a)') trim(s1), ' (', trim(s2), ')'
do i=0, XC_MAX_REFERENCES-1
! Get info on reference number i; can't reuse the loop variable
! due to Fortran restrictions for intent(inout)
number = i
xc_ref = xc_f90_func_info_get_references(xc_info, number)
if( number < 0 ) then
exit
end if
write(*, '(a,i1,2a)') '[', i+1, '] ', trim(xc_f90_func_reference_get_ref(xc_ref))
end do
call xc_f90_func_end(xc_func)
end program xcinfo
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