diff --git a/upftools/casino2upf.f90 b/upftools/casino2upf.f90 index f0e7ccc7e..8df37a9fa 100644 --- a/upftools/casino2upf.f90 +++ b/upftools/casino2upf.f90 @@ -63,23 +63,23 @@ MODULE casino ! trailing underscore means that a variable with the same name ! is used in module 'upf' containing variables to be written ! - + USE kinds, ONLY : DP CHARACTER(len=20) :: dft_ CHARACTER(len=2) :: psd_ - REAL(8) :: zp_ + REAL(DP) :: zp_ INTEGER nlc, nnl, lmax_, lloc, nchi, rel_ LOGICAL :: numeric, bhstype, nlcc_ - REAL(8) :: alpc(2), cc(2), alps(3,0:3), aps(6,0:3) - REAL(8) :: a_nlcc, b_nlcc, alpha_nlcc + REAL(DP) :: alpc(2), cc(2), alps(3,0:3), aps(6,0:3) + REAL(DP) :: a_nlcc, b_nlcc, alpha_nlcc - REAL(8) :: zmesh, xmin, dx - REAL(8), ALLOCATABLE:: r_(:), rab_(:) + REAL(DP) :: zmesh, xmin, dx + REAL(DP), ALLOCATABLE:: r_(:), rab_(:) INTEGER :: mesh_ - REAL(8), ALLOCATABLE:: vnl(:,:), rho_atc_(:), rho_at_(:) + REAL(DP), ALLOCATABLE:: vnl(:,:), rho_atc_(:), rho_at_(:) INTEGER, ALLOCATABLE:: lchi_(:), nns_(:) - REAL(8), ALLOCATABLE:: chi_(:,:), oc_(:) + REAL(DP), ALLOCATABLE:: chi_(:,:), oc_(:) END MODULE casino ! @@ -89,15 +89,15 @@ SUBROUTINE read_casino(iunps,nofiles) ! USE casino USE upf , ONLY : els - USE kinds + USE kinds, ONLY : DP IMPLICIT NONE TYPE :: wavfun_list INTEGER :: occ,eup,edwn, nquant, lquant CHARACTER(len=2) :: label #ifdef __STD_F95 - REAL*8, POINTER :: wavefunc(:) + REAL(DP), POINTER :: wavefunc(:) #else - REAL*8, ALLOCATABLE :: wavefunc(:) + REAL(DP), ALLOCATABLE :: wavefunc(:) #endif TYPE (wavfun_list), POINTER :: p @@ -111,7 +111,7 @@ SUBROUTINE read_casino(iunps,nofiles) ! LOGICAL :: groundstate, found CHARACTER(len=2) :: label, rellab - REAL(DP), PARAMETER :: r_exp=20._dp/1500._dp + REAL(DP), PARAMETER :: r_exp=20._DP/1500._DP INTEGER :: l, i, ir, nb, gsorbs, j,k,m,tmp, lquant, orbs, nquant INTEGER, ALLOCATABLE :: gs(:,:) @@ -387,13 +387,14 @@ END SUBROUTINE read_casino ! ---------------------------------------------------------- SUBROUTINE convert_casino ! ---------------------------------------------------------- + USE kinds, ONLY : DP USE casino USE upf USE funct, ONLY : set_dft_from_name, get_iexch, get_icorr, get_igcx, get_igcc IMPLICIT NONE - REAL(8), PARAMETER :: rmax = 10.0d0 - REAL(8), ALLOCATABLE :: aux(:) - REAL(8) :: vll + REAL(DP), PARAMETER :: rmax = 10.0d0 + REAL(DP), ALLOCATABLE :: aux(:) + REAL(DP) :: vll INTEGER :: kkbeta, l, iv, ir, i WRITE(generated, '("From a Trail & Needs tabulated PP for CASINO")')