CPMDData Module



Contents


Variables

Type Visibility Attributes Name Initial
integer, public :: NSTATES
integer, public :: NROTOP
integer, public :: NTRANSLAT
integer, public :: NCOMPLETE
integer, public :: NKPS
integer, public :: NKPTRANS
integer, public :: NSpGpOp
integer, public :: CellSizes(3)
logical, public :: BIGCELL
logical, public :: PROJECT
logical, public :: TSPACEGP
logical, public :: TKP
real(kind=dp), public :: XI
real(kind=dp), public :: EIONION
real(kind=dp), public :: DEGENTOL
real(kind=dp), public, ALLOCATABLE :: ROT_CHAR(:,:)
real(kind=dp), public, ALLOCATABLE :: EIGENVALUES(:)
real(kind=dp), public, ALLOCATABLE :: PIInt(:)
complex(kind=dp), public, ALLOCATABLE :: TRANS_CHAR(:,:)
complex(kind=dp), public, ALLOCATABLE :: GROUP_CHAR(:,:)
complex(kind=dp), public, ALLOCATABLE :: TRANS_CHAR_TABLE(:,:)
complex(kind=dp), public, ALLOCATABLE :: KPNT_CHAR(:,:)
logical, public, ALLOCATABLE :: IMPROPER_OP(:)
integer, public, ALLOCATABLE :: K_VECTORS(:,:)
integer, public, ALLOCATABLE :: ROT_LABEL(:)
integer, public, ALLOCATABLE :: TRANS_LABEL(:)
integer, public, ALLOCATABLE :: KPNTIND(:)
integer(kind=TagIntType), public :: tagROT_CHAR = 0
integer(kind=TagIntType), public :: tagEIGENVALUES = 0
integer(kind=TagIntType), public :: tagPIInt = 0
integer(kind=TagIntType), public :: tagTRANS_CHAR = 0
integer(kind=TagIntType), public :: tagGROUP_CHAR = 0
integer(kind=TagIntType), public :: tagTRANS_CHAR_TABLE = 0
integer(kind=TagIntType), public :: tagKPNT_CHAR = 0
integer(kind=TagIntType), public :: tagIMPROPER_OP = 0
integer(kind=TagIntType), public :: tagK_VECTORS = 0
integer(kind=TagIntType), public :: tagROT_LABEL = 0
integer(kind=TagIntType), public :: tagTRANS_LABEL = 0
integer(kind=TagIntType), public :: tagKPNTIND = 0