| /dports/science/siesta/siesta-4.1.5/Src/ |
| H A D | m_digest_nnkp.F90 | 53 integer, intent(out) :: numkpoints
54 integer, intent(out) :: nncount
55 integer, intent(out) :: numproj
57 integer, pointer :: nnlist(:,:)
58 integer, pointer :: nnfolding(:,:,:)
59 integer, pointer :: excludedbands(:)
62 real(dp), pointer :: kpointsfrac(:,:)
71 integer :: i, j, ik, iw! Loop counters
72 integer :: ikp, inn ! Loop counters
73 integer :: iikp ! Dummy variable
[all …]
|
| /dports/science/wannier90/wannier90-3.1.0/pwscf/v3.2.3/ |
| H A D | pw2wannier90.f90 | 518 subroutine read_nnkp subroutine
536 real(DP) :: g_(3), gg_
537 integer :: ik, ib, ig, ipol, iw, idum, indexb
538 integer numk, i, j local
539 integer, allocatable :: ig_check(:,:)
540 real(DP) :: xx(3), xnorm, znorm, coseno
541 CHARACTER(LEN=80) :: line1, line2
542 logical :: have_nnkp
|
| /dports/science/wannier90/wannier90-3.1.0/pwscf/v4.0/ |
| H A D | pw2wannier90.f90 | 534 subroutine read_nnkp subroutine
552 real(DP) :: g_(3), gg_
553 integer :: ik, ib, ig, ipol, iw, idum, indexb
554 integer numk, i, j local
555 integer, allocatable :: ig_check(:,:)
556 real(DP) :: xx(3), xnorm, znorm, coseno
557 CHARACTER(LEN=80) :: line1, line2
558 logical :: have_nnkp
|
| /dports/science/wannier90/wannier90-3.1.0/pwscf/v4.1/ |
| H A D | pw2wannier90.f90 | 534 subroutine read_nnkp subroutine
552 real(DP) :: g_(3), gg_
553 integer :: ik, ib, ig, ipol, iw, idum, indexb
554 integer numk, i, j local
555 integer, allocatable :: ig_check(:,:)
556 real(DP) :: xx(3), xnorm, znorm, coseno
557 CHARACTER(LEN=80) :: line1, line2
558 logical :: have_nnkp
|
| /dports/science/wannier90/wannier90-3.1.0/pwscf/v5.0/ |
| H A D | pw2wannier90.f90 | 661 SUBROUTINE read_nnkp subroutine
678 INTEGER, EXTERNAL :: find_free_unit
680 real(DP) :: g_(3), gg_
681 INTEGER :: ik, ib, ig, ipol, iw, idum, indexb
682 INTEGER numk, i, j local
683 INTEGER, ALLOCATABLE :: ig_check(:,:)
684 real(DP) :: xx(3), xnorm, znorm, coseno
685 LOGICAL :: have_nnkp,found
|
| /dports/science/wannier90/wannier90-3.1.0/pwscf/v6.0/ |
| H A D | pw2wannier90.f90 | 725 SUBROUTINE read_nnkp subroutine
743 INTEGER, EXTERNAL :: find_free_unit
745 real(DP) :: g_(3), gg_
746 INTEGER :: ik, ib, ig, ipol, iw, idum, indexb
747 INTEGER numk, i, j local
748 INTEGER, ALLOCATABLE :: ig_check(:,:)
749 real(DP) :: xx(3), xnorm, znorm, coseno
750 LOGICAL :: have_nnkp,found
|
| /dports/science/wannier90/wannier90-3.1.0/pwscf/v6.2.1/ |
| H A D | pw2wannier90.f90 | 738 SUBROUTINE read_nnkp subroutine
756 INTEGER, EXTERNAL :: find_free_unit
758 real(DP) :: g_(3), gg_
759 INTEGER :: ik, ib, ig, ipol, iw, idum, indexb
760 INTEGER numk, i, j local
761 INTEGER, ALLOCATABLE :: ig_check(:,:)
762 real(DP) :: xx(3), xnorm, znorm, coseno
763 LOGICAL :: have_nnkp,found
765 INTEGER :: scdm_proj_tmp
|
| /dports/science/wannier90/wannier90-3.1.0/pwscf/v6.3/ |
| H A D | pw2wannier90_legacy.f90 | 744 SUBROUTINE read_nnkp subroutine
762 INTEGER, EXTERNAL :: find_free_unit
764 real(DP) :: g_(3), gg_
765 INTEGER :: ik, ib, ig, ipol, iw, idum, indexb
766 INTEGER numk, i, j local
767 INTEGER, ALLOCATABLE :: ig_check(:,:)
768 real(DP) :: xx(3), xnorm, znorm, coseno
769 LOGICAL :: have_nnkp,found
771 INTEGER :: scdm_proj_tmp
|
| H A D | pw2wannier90.f90 | 769 SUBROUTINE read_nnkp subroutine
787 INTEGER, EXTERNAL :: find_free_unit
789 real(DP) :: g_(3), gg_
790 INTEGER :: ik, ib, ig, ipol, iw, idum, indexb
791 INTEGER numk, i, j local
792 INTEGER, ALLOCATABLE :: ig_check(:,:)
793 real(DP) :: xx(3), xnorm, znorm, coseno
794 LOGICAL :: have_nnkp,found
795 INTEGER :: tmp_auto ! vv: Needed for the selection of projections with SCDM
|
| /dports/science/wannier90/wannier90-3.1.0/pwscf/v6.4/ |
| H A D | pw2wannier90.f90 | 770 SUBROUTINE read_nnkp subroutine
788 INTEGER, EXTERNAL :: find_free_unit
790 real(DP) :: g_(3), gg_
791 INTEGER :: ik, ib, ig, ipol, iw, idum, indexb
792 INTEGER numk, i, j local
793 INTEGER, ALLOCATABLE :: ig_check(:,:)
794 real(DP) :: xx(3), xnorm, znorm, coseno
795 LOGICAL :: have_nnkp,found
796 INTEGER :: tmp_auto ! vv: Needed for the selection of projections with SCDM
|
| /dports/science/wannier90/wannier90-3.1.0/pwscf/v6.5/ |
| H A D | pw2wannier90.f90 | 770 SUBROUTINE read_nnkp subroutine
788 INTEGER, EXTERNAL :: find_free_unit
790 real(DP) :: g_(3), gg_
791 INTEGER :: ik, ib, ig, ipol, iw, idum, indexb
792 INTEGER numk, i, j local
793 INTEGER, ALLOCATABLE :: ig_check(:,:)
794 real(DP) :: xx(3), xnorm, znorm, coseno
795 LOGICAL :: have_nnkp,found
796 INTEGER :: tmp_auto ! vv: Needed for the selection of projections with SCDM
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
| H A D | pw2wannier90.f90 | 774 SUBROUTINE read_nnkp subroutine
792 INTEGER, EXTERNAL :: find_free_unit
794 real(DP) :: g_(3), gg_
795 INTEGER :: ik, ib, ig, ipol, iw, idum, indexb
796 INTEGER numk, i, j local
797 INTEGER, ALLOCATABLE :: ig_check(:,:)
798 real(DP) :: xx(3), xnorm, znorm, coseno
799 LOGICAL :: have_nnkp,found
800 INTEGER :: tmp_auto ! vv: Needed for the selection of projections with SCDM
|