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quantum-espresso/Modules/wypos.f90

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!
! Copyright (C) 2014 Federico Zadra
! This file is distributed under the terms of the
! GNU General Public License. See the file `License'
! in the root directory of the present distribution,
! or http://www.gnu.org/copyleft/gpl.txt .
!
MODULE wy_pos
USE kinds, ONLY : DP
IMPLICIT NONE
SAVE
PRIVATE
PUBLIC wypos
CONTAINS
SUBROUTINE wypos(tau,wp,inp,space_group_number,uniqueb,&
rhombohedral,origin_choice)
!-----------------------------------------------------------
! Convert atomic positions given in Wyckoff convention:
! multiplicity-letter + parameter(s), to crystal positions
! wp = Wyckoff label (e.g. 8c)
! inp(3) = parameter(s) (if needed)
!-----------------------------------------------------------
REAL(DP), DIMENSION(3), INTENT(OUT) :: tau
REAL(DP), INTENT(IN) :: inp(3)
CHARACTER(LEN=*), INTENT (IN) :: wp
INTEGER, INTENT(IN) :: space_group_number
LOGICAL, INTENT(IN) :: uniqueb, rhombohedral
INTEGER, INTENT(IN) :: origin_choice
tau=1.d5
SELECT CASE (space_group_number)
CASE (2) !P-1
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1e') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1f') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1g') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1h') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ENDIF
CASE (3) !P2
IF (uniqueb) THEN
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1d') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=0.5_DP
ENDIF
ELSEIF (.NOT.uniqueb) THEN
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='1d') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
ENDIF
CASE (5) !C2
IF (uniqueb) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.5_DP
ENDIF
ELSEIF (.NOT.uniqueb) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ENDIF
ENDIF
CASE (6) !Pm
IF (uniqueb) THEN
IF (TRIM(wp)=='1a') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=inp(2)
ENDIF
ELSEIF (.NOT.uniqueb) THEN
IF (TRIM(wp)=='1a') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.5_DP
ENDIF
ENDIF
CASE (8) !Cm
IF (uniqueb) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ENDIF
ELSEIF (.NOT.uniqueb) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ENDIF
ENDIF
CASE (10) !P2/m
IF (uniqueb) THEN
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1e') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1f') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1g') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1h') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2i') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2j') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2k') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2l') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2m') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='2n') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=inp(2)
ENDIF
ELSEIF (.NOT.uniqueb) THEN
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1e') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1f') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1g') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1h') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2i') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2j') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2k') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2l') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2m') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2n') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.5_DP
ENDIF
ENDIF
CASE (11) !P2(1)/m
IF (uniqueb) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=inp(2)
ENDIF
ELSEIF (.NOT.uniqueb) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.25_DP
ENDIF
ENDIF
CASE (12) !C2/m
IF (uniqueb) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ENDIF
ELSEIF (.NOT.uniqueb) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.5_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ENDIF
ENDIF
CASE (13) !P2/c
IF (uniqueb) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2f') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ENDIF
ELSEIF (.NOT.uniqueb) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2f') THEN
tau(1)=0.25_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
ENDIF
CASE (14) !-P2(1)/c
IF (uniqueb) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ENDIF
ELSEIF (.NOT.uniqueb) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ENDIF
ENDIF
CASE (15) !C2/c
IF (uniqueb) THEN
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.25
ENDIF
ELSEIF (.NOT.uniqueb) THEN
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.5_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ENDIF
ENDIF
CASE (16) !P222
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1e') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1f') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1g') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1h') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2i') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2j') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2k') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2l') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2m') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2n') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2o') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2p') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2q') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2r') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2s') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2t') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (17) !P222(1)
IF (TRIM(wp)=='2a') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ENDIF
CASE (18) !P2(1)2(1)2
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (20) !C222(1)
IF (TRIM(wp)=='4a') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ENDIF
CASE (21) !C222
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4k') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ENDIF
CASE (22) !F222
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (23) !I222
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (24) !I2(1)2(1)2(1)
IF (TRIM(wp)=='4a') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ENDIF
CASE (25) !Pmm2
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='1d') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='2f') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='2g') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='2h') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (26) !Pmc2(1)
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (27) !Pcc2
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (28) !Pma2
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (30) !Pca2(1)
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ENDIF
CASE (31) !Pmn2(1)
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (32) !Pba2
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (34) !Pnn2
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (35) !Cmm2
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (36) !Cmc2(1)
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(1)
ENDIF
CASE (37) !Ccc2
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ENDIF
CASE (38) !Amm2
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (39) !Aem2
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=inp(2)
ENDIF
CASE (40) !Ama2
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (41) !Aea2
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ENDIF
CASE (42) !Fmm2
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8b') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='8d') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ENDIF
CASE (43) !Fdd2
IF (TRIM(wp)=='8a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ENDIF
CASE (44) !Imm2
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (45) !Iba2
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (46) !Ima2
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (47) !Pmmm
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1e') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1f') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1g') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1h') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2i') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2j') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2k') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2l') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2m') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2n') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2o') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2p') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2q') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2r') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2s') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2t') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4u') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='4v') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='4w') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='4x') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='4y') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4z') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.5_DP
ENDIF
CASE (48) !Pnnn
IF (origin_choice==1) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.75_DP
tau(2)=0.75_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4k') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4l') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.25_DP
tau(2)=0.75_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=0.75_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4k') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4l') THEN
tau(1)=0.25_DP
tau(2)=0.75_DP
tau(3)=inp(1)
ENDIF
ENDIF
CASE (49) !Pccm
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2f') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2g') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2h') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4k') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4l') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4m') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4n') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4o') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4p') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4q') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ENDIF
CASE (50) !Pban
IF (origin_choice==1) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4k') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4l') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4k') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4l') THEN
tau(1)=0.25_DP
tau(2)=0.75_DP
tau(3)=inp(1)
ENDIF
ENDIF
CASE (51) !Pmma
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2f') THEN
tau(1)=0.25_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='4k') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (52) !Pnna
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.25_DP
ENDIF
CASE (53) !Pmna
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (54) !Pcca
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.25_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (55) !Pbam
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.5_DP
ENDIF
CASE (56) !Pccn
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.25_DP
tau(2)=0.75_DP
tau(3)=inp(1)
ENDIF
CASE (57) !Pbcm
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.25_DP
ENDIF
CASE (58) !Pnnm
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ENDIF
CASE (59) !Pmmn
IF (origin_choice==1) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.25_DP
tau(2)=0.75_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=inp(2)
ENDIF
ENDIF
CASE (60) !Pbcn
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ENDIF
CASE (61) !Pbca
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ENDIF
CASE (62) !Pnma
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=inp(2)
ENDIF
CASE (63) !Cmcm
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8d') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.25_DP
ENDIF
CASE (64) !Cmce
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8d') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (65) !Cmmm
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4k') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4l') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8m') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8n') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='8o') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='8p') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8q') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.5_DP
ENDIF
CASE (66) !Cccm
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.25_DP
tau(2)=0.75_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8k') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8l') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ENDIF
CASE (67) !Cmma
IF (TRIM(wp)=='4a') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8k') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8l') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8m') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='8n') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=inp(2)
ENDIF
CASE (68) !Ccce
IF (origin_choice==1) THEN
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8d') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.25_DP
tau(2)=0.75_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ENDIF
ENDIF
CASE (69) !Fmmm
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8d') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='16j') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='16k') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='16l') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='16m') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='16n') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='16o') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ENDIF
CASE (70) !Fddd
IF (origin_choice==1) THEN
IF (TRIM(wp)=='8a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='16c') THEN
tau(1)=0.125_DP
tau(2)=0.125_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='16d') THEN
tau(1)=0.625_DP
tau(2)=0.625_DP
tau(3)=0.625_DP
ELSEIF (TRIM(wp)=='16e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16f') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='8a') THEN
tau(1)=0.125_DP
tau(2)=0.125_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='8b') THEN
tau(1)=0.125_DP
tau(2)=0.125_DP
tau(3)=0.625_DP
ELSEIF (TRIM(wp)=='16c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16d') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='16e') THEN
tau(1)=inp(1)
tau(2)=0.125_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='16f') THEN
tau(1)=0.125_DP
tau(2)=inp(1)
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='16g') THEN
tau(1)=0.125_DP
tau(2)=0.125_DP
tau(3)=inp(1)
ENDIF
ENDIF
CASE (71) !Immm
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8k') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8l') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='8m') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='8n') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ENDIF
CASE (72) !Ibam
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ENDIF
CASE (73) !Ibca
IF (TRIM(wp)=='8a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8b') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8d') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ENDIF
CASE (74) !Imma
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=inp(2)
ENDIF
CASE (75) !P4
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (77) !P4(2)
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (79) !I4(2)
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (80) !I4(1)
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ENDIF
CASE (81) !P-4
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1d') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2f') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2g') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (82) !I-4
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (83) !P4/m
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1d') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2f') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2h') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2i') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8k') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.5_DP
ENDIF
CASE (84)
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2f') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ENDIF
CASE (85)
IF (origin_choice==1) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.25_DP
tau(2)=0.75_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.25_DP
tau(2)=0.75_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.25_DP
tau(2)=0.75_DP
tau(3)=inp(1)
ENDIF
ENDIF
CASE (86)
IF (origin_choice==1) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ENDIF
ENDIF
CASE (87) !I4/m
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ENDIF
CASE (88) !I4(1)/a
IF (origin_choice==1) THEN
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='8d') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.625_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.625_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ENDIF
ENDIF
CASE (89) !P422
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1d') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2f') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2h') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4k') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4l') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4m') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4n') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4o') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ENDIF
CASE (90) !P42(1)2
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.5_DP
ENDIF
CASE (91) !P4(1)22
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.375_DP
ENDIF
CASE (92) !P4(1)2(1)2
IF (TRIM(wp)=='4a') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ENDIF
CASE (93) !P4(2)22
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2f') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4k') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4l') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4m') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4n') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4o') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.75_DP
ENDIF
CASE (94) !P4(2)2(1)2
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.5_DP
ENDIF
CASE (95) !P4(3)22
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.625_DP
ENDIF
CASE (96) !P4(2)2(1)2
IF (TRIM(wp)=='4a') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ENDIF
CASE (97) !I422
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=0.25_DP
ENDIF
CASE (98) !I4(1)22
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8d') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=-inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.125_DP
ENDIF
CASE (99) !P4mm
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=inp(2)
ENDIF
CASE (100) !P4bm
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=inp(2)
ENDIF
CASE (101) !P4(2)cm
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (102) !P4(2)nm
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (103) !P4cc
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (104) !P4nc
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (105) !P4(2)mc
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=inp(2)
ENDIF
CASE (106) !P4(2)bc
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (107) !I4mm
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='8d') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ENDIF
CASE (108) !I4cm
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=inp(2)
ENDIF
CASE (109) !I4(1)md
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8b') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (110) !I4(1)cd
IF (TRIM(wp)=='8a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ENDIF
CASE (111) !P-42m
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2f') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2h') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4k') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4l') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4m') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4n') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (112) !P-42c
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2f') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4k') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4l') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4m') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (113) !P-42(1)m
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=inp(2)
ENDIF
CASE (114) !P-42(1)c
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (115) !P-4m2
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2f') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2g') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='4k') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=inp(2)
ENDIF
CASE (116) !P4c2
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (117) !P-4b2
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=0.5_DP
ENDIF
CASE (118) !P-4n2
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=inp(1)
tau(2)=-inp(1)+0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (119) !I-4m2
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ENDIF
CASE (120) !I-4c2
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=0.0_DP
ENDIF
CASE (121) !I-42m
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (122) !I-42d
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8d') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.125_DP
ENDIF
CASE (123) !P4/mmm
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1d') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2f') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2h') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4k') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4l') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4m') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4n') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4o') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8p') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8q') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8r') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='8s') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='8t') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=inp(2)
ENDIF
CASE (124) !P4/mmc
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8k') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8l') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8m') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ENDIF
CASE (125) !P/nbm
IF (origin_choice==1) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8k') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8l') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8m') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=inp(2)
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8k') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8l') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8m') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=inp(2)
ENDIF
ENDIF
CASE (126)
IF (origin_choice==1) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.25_DP
tau(2)=0.75_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.25_DP
tau(2)=0.75_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=0.25_DP
tau(2)=0.75_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=inp(1)
tau(2)=0.75_DP
tau(3)=0.25_DP
ENDIF
ENDIF
CASE (127) !P4/mbm
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8k') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=inp(2)
ENDIF
CASE (128) !P4/mnc
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ENDIF
CASE (129) !P4/nmm
IF (origin_choice==1) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=inp(2)
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
ENDIF
CASE (130) !P4/ncc
IF (origin_choice==1) THEN
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8d') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.25_DP
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='4a') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.25_DP
ENDIF
ENDIF
CASE (131) !P4(2)/mmc
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2f') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4k') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4l') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4m') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8n') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8o') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='8p') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='8q') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ENDIF
CASE (132) !P4(2)mcm
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4j') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8k') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8l') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8m') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8n') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8o') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (133) !P4(2)/nbc
IF (origin_choice==1) THEN
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=0.0_DP
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='4a') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=0.00_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.25_DP
ENDIF
ENDIF
CASE (134) !P4(2)/nnm
IF (origin_choice==1) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.75_DP
tau(2)=0.75_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8k') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8l') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='8m') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.25_DP
tau(2)=0.75_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8k') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8l') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8m') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=inp(2)
ENDIF
ENDIF
CASE (135) !P3(2)/mbc
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ENDIF
CASE (136) !P4(2)/mnm
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (137) !P4(2)/nmc
IF (origin_choice==1) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.25_DP
tau(2)=0.75_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
ENDIF
CASE (138) !P4(2)/ncm
IF (origin_choice==1) THEN
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=inp(2)
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='4a') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
ENDIF
CASE (139) !I4/mmm
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8j') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16k') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='16l') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16m') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='16n') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (140) !I4/mcm
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8f') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16i') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='16j') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='16k') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16l') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.5_DP
tau(3)=inp(2)
ENDIF
CASE (141) !I4(1)/amd
IF (origin_choice==1) THEN
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='8d') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.625_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='16f') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='16g') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16h') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.75_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.375_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='16f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16g') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.25_DP
tau(3)=0.875_DP
ELSEIF (TRIM(wp)=='16h') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
ENDIF
CASE (142) !I4(1)/acd
IF (origin_choice==1) THEN
IF (TRIM(wp)=='8a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='16c') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='16d') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='16e') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='16f') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=0.25_DP
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='8a') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.375_DP
ELSEIF (TRIM(wp)=='8b') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='16c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16d') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='16e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='16f') THEN
tau(1)=inp(1)
tau(2)=inp(1)+0.25_DP
tau(3)=0.125_DP
ENDIF
ENDIF
CASE(143) !P3
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=inp(1)
ENDIF
CASE (146) !R3
IF (rhombohedral) THEN
IF (TRIM(wp)=='1a') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ENDIF
ELSE !If HEXAGONAL
IF (TRIM(wp)=='3a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ENDIF
ENDIF
CASE(147) !P-3
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3e') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3f') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ENDIF
CASE (148) !R-3
IF (rhombohedral) THEN
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3e') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ENDIF
ELSEIF (.NOT.rhombohedral) THEN
IF (TRIM(wp)=='3a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='9d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='9e') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ENDIF
ENDIF
CASE (149) !P312
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1d') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1e') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1f') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2h') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2i') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3j') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3k') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.5_DP
ENDIF
CASE (150) !P321
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3d') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ENDIF
CASE (151) !P3(1)12
IF (TRIM(wp)=='3a') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=1.0_DP/3.0_DP
ELSEIF (TRIM(wp)=='3b') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=5.0_DP/6.0_DP
ENDIF
CASE (152) !P3(1)21
IF (TRIM(wp)=='31') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=1.0_DP/3.0_DP
ELSEIF (TRIM(wp)=='3b') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=5.0_DP/6.0_DP
ENDIF
CASE (153) !P3(2)12
IF (TRIM(wp)=='31') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=2.0_DP/3.0_DP
ELSEIF (TRIM(wp)=='3b') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=1.0_DP/6.0_DP
ENDIF
CASE (154) !3(2)21
IF (TRIM(wp)=='3a') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=2.0_DP/3.0_DP
ELSEIF (TRIM(wp)=='3b') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=1.0_DP/3.0_DP
ENDIF
CASE (155) !R32
IF (rhombohedral) THEN
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3d') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=-inp(1)
ELSEIF (TRIM(wp)=='3e') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=-inp(1)
ENDIF
ELSEIF (.NOT.rhombohedral) THEN
IF (TRIM(wp)=='3a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='9d') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='9e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ENDIF
ENDIF
CASE (156) !P-3m1
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3d') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=inp(2)
ENDIF
CASE (157) !P31m
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3c') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ENDIF
CASE (158) !P3c1
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=inp(1)
ENDIF
CASE (159) !P31c
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ENDIF
CASE (160) !R3m
IF (rhombohedral) THEN
IF (TRIM(wp)=='1a') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3b') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
ELSEIF (.NOT.rhombohedral) THEN
IF (TRIM(wp)=='3a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='9b') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=inp(2)
ENDIF
ENDIF
CASE (161) !R3c
IF (rhombohedral) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ENDIF
ELSEIF (.NOT.rhombohedral) THEN
IF (TRIM(wp)=='6a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ENDIF
ENDIF
CASE (162) !P-31m
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='3f') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3g') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6i') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6j') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6k') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ENDIF
CASE (163) !P-31c
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='6g') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6h') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.25_DP
ENDIF
CASE (164) !P-3m1
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3e') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3f') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6h') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6i') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=inp(2)
ENDIF
CASE (165) !P-3c1
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6e') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ENDIF
CASE (166) !R-3m
IF (rhombohedral) THEN
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3e') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6f') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6g') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6h') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
ELSEIF (.NOT.rhombohedral) THEN
IF (TRIM(wp)=='3a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='9d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='9e') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='18f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='18g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='18h') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=inp(2)
ENDIF
ENDIF
CASE (167) !R-3c
IF (rhombohedral) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6e') THEN
tau(1)=inp(1)
tau(2)=-inp(1)+0.5_DP
tau(3)=0.25_DP
ENDIF
ELSEIF (.NOT.rhombohedral) THEN
IF (TRIM(wp)=='6a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='6b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='12c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='18d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='18e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ENDIF
ENDIF
CASE (168) !P6
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3c') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ENDIF
CASE (171) !P6/m
IF (TRIM(wp)=='3a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (172) !P6(4)
IF (TRIM(wp)=='3a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=inp(1)
ENDIF
CASE (173) !P6(3)
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ENDIF
CASE (174) !P-6
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1d') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1e') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1f') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2h') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2i') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3j') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3k') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.5_DP
ENDIF
CASE (175) !P6/m
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3f') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3g') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6i') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6j') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6k') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.5_DP
ENDIF
CASE (176) !P6(3)/m
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6g') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6h') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.25_DP
ENDIF
CASE (177) !P622
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3f') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3g') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6i') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6j') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6k') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6l') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6m') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.5_DP
ENDIF
CASE (178) !P6(1)22
IF (TRIM(wp)=='6a') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6b') THEN
tau(1)=inp(1)
tau(2)=2*inp(1)
tau(3)=0.25_DP
ENDIF
CASE (179) !P6(5)22
IF (TRIM(wp)=='1a') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=inp(1)
tau(2)=2*inp(1)
tau(3)=0.75_DP
ENDIF
CASE (180) !P6(2)22
IF (TRIM(wp)=='3a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='3c') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6f') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6h') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6i') THEN
tau(1)=inp(1)
tau(2)=2*inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6j') THEN
tau(1)=inp(1)
tau(2)=2*inp(1)
tau(3)=0.5_DP
ENDIF
CASE (181) !P6(4)22
IF (TRIM(wp)=='3a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='3c') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6f') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6h') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6i') THEN
tau(1)=inp(1)
tau(2)=2*inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6j') THEN
tau(1)=inp(1)
tau(2)=2*inp(1)
tau(3)=0.5_DP
ENDIF
CASE (182) !P6(3)22
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6h') THEN
tau(1)=inp(1)
tau(2)=2*inp(1)
tau(3)=0.25_DP
ENDIF
CASE (183) !P6mm
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3c') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6d') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='6e') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=inp(2)
ENDIF
CASE (184) !P6cc
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6c') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ENDIF
CASE (185) !P6(3)cm
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6c') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ENDIF
CASE (186) !P6(3)mc
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6c') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=inp(2)
ENDIF
CASE (187) !P-6m2
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1c') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1d') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='1e') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1f') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2h') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='2i') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3j') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3k') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6l') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6m') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6n') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=inp(2)
ENDIF
CASE (188) !P-6c2
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2f') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4g') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4i') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6j') THEN
tau(1)=inp(1)
tau(2)=-inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6k') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.25_DP
ENDIF
CASE (189) !P-62m
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='3f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6i') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='6j') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6k') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.5_DP
ENDIF
CASE (190) !P-62c
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=2.0_DP/3.0_DP
tau(2)=1.0_DP/3.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='6g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6h') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.25_DP
ENDIF
CASE (191) !P6/mmm
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='3f') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='3g') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4h') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6i') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6j') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6k') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6l') THEN
tau(1)=inp(1)
tau(2)=2*inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6m') THEN
tau(1)=inp(1)
tau(2)=2*inp(1)
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='12n') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='12o') THEN
tau(1)=inp(1)
tau(2)=2*inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='12p') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='12q') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.5_DP
ENDIF
CASE (192) !P6/mcc
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6f') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='6g') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12i') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12j') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='12k') THEN
tau(1)=inp(1)
tau(2)=2*inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='12l') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.0_DP
ENDIF
CASE (193) !P6(3)/mcm
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6f') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8h') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12i') THEN
tau(1)=inp(1)
tau(2)=2*inp(1)
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='12j') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='12k') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=inp(2)
ENDIF
CASE (194) !P6(3)mmc
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='2b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2c') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='2d') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='4f') THEN
tau(1)=1.0_DP/3.0_DP
tau(2)=2.0_DP/3.0_DP
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6g') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6h') THEN
tau(1)=inp(1)
tau(2)=2*inp(1)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='12i') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='12j') THEN
tau(1)=inp(1)
tau(2)=inp(2)
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='12k') THEN
tau(1)=inp(1)
tau(2)=2*inp(1)
tau(3)=inp(2)
ENDIF
CASE (195) !P23
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='3c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='3d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6h') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6i') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.5_DP
ENDIF
CASE (196) !F23
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.75_DP
tau(2)=0.75_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='16e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='24f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='24g') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.25_DP
ENDIF
CASE (197) !I23
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12d') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='12e') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ENDIF
CASE (198) !P2(1)3
IF (TRIM(wp)=='4a') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ENDIF
CASE (199) !I2(1)3
IF (TRIM(wp)=='8a') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12b') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ENDIF
CASE (200) !Pm-3
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='3c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='3d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6g') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6h') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8i') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12j') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='12k') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (201) !Pn-3
IF (origin_choice==1) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.75_DP
tau(2)=0.75_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='6d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='12g') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6d') THEN
tau(1)=0.25_DP
tau(2)=0.75_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12f') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='12g') THEN
tau(1)=inp(1)
tau(2)=0.75_DP
tau(3)=0.25_DP
ENDIF
ENDIF
CASE (202) !Fm-3
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='24d') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='24e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='32f') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='48g') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='48h') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (203) !Fd-3
IF (origin_choice==1) THEN
IF (TRIM(wp)=='8a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='16c') THEN
tau(1)=0.125_DP
tau(2)=0.125_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='16d') THEN
tau(1)=0.625_DP
tau(2)=0.625_DP
tau(3)=0.625_DP
ELSEIF (TRIM(wp)=='32e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='48f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='8a') THEN
tau(1)=0.125_DP
tau(2)=0.125_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='8b') THEN
tau(1)=0.625_DP
tau(2)=0.625_DP
tau(3)=0.625_DP
ELSEIF (TRIM(wp)=='16c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16d') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='32e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='48f') THEN
tau(1)=inp(1)
tau(2)=0.125_DP
tau(3)=0.125_DP
ENDIF
ENDIF
CASE (204) ! Im-3
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='12d') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='12e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='16f') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='24g') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (205) !Pa-3
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ENDIF
CASE (206) !Ia-3
IF (TRIM(wp)=='8a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8b') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='16c') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='24d') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ENDIF
CASE (207) !P432
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='3c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='3d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6f') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12h') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='12i') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12j') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=inp(1)
ENDIF
CASE (208) !P4(2)32
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.75_DP
tau(2)=0.75_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='6d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6e') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6f') THEN
tau(1)=0.25_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12h') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='12i') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='12j') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='12k') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=-inp(1)+0.5_DP
ELSEIF (TRIM(wp)=='12l') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=inp(1)+0.5_DP
ENDIF
CASE (209) !F432
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='24d') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='24e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='32f') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='48g') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='48h') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='48i') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.25_DP
ENDIF
CASE (210) !F4(1)32
IF (TRIM(wp)=='8a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='16c') THEN
tau(1)=0.125_DP
tau(2)=0.125_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='16d') THEN
tau(1)=0.625_DP
tau(2)=0.625_DP
tau(3)=0.625_DP
ELSEIF (TRIM(wp)=='32e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='48f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='48g') THEN
tau(1)=0.125_DP
tau(2)=inp(1)
tau(3)=-inp(1)+0.25_DP
ENDIF
CASE (211) !I432
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='12d') THEN
tau(1)=0.25_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='12e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16f') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='24g') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='24h') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='24i') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=-inp(1)+0.5_DP
ENDIF
CASE (212) !P4(3)32
IF (TRIM(wp)=='4a') THEN
tau(1)=0.125_DP
tau(2)=0.125_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.625_DP
tau(2)=0.625_DP
tau(3)=0.625_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12d') THEN
tau(1)=0.125_DP
tau(2)=inp(1)
tau(3)=-inp(1)+0.25_DP
ENDIF
CASE (213) !P4(1)32
IF (TRIM(wp)=='4a') THEN
tau(1)=0.375_DP
tau(2)=0.375_DP
tau(3)=0.375_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.875_DP
tau(2)=0.875_DP
tau(3)=0.875_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12d') THEN
tau(1)=0.125_DP
tau(2)=inp(1)
tau(3)=inp(1)+0.25_DP
ENDIF
CASE (214) !I4(I)32
IF (TRIM(wp)=='8a') THEN
tau(1)=0.125_DP
tau(2)=0.125_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='8b') THEN
tau(1)=0.875_DP
tau(2)=0.875_DP
tau(3)=0.875_DP
ELSEIF (TRIM(wp)=='12c') THEN
tau(1)=0.125_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='12d') THEN
tau(1)=0.625_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='16e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='24f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='24g') THEN
tau(1)=0.125_DP
tau(2)=inp(1)
tau(3)=inp(1)+0.25_DP
ELSEIF (TRIM(wp)=='24h') THEN
tau(1)=0.125_DP
tau(2)=inp(1)
tau(3)=-inp(1)+0.25_DP
ENDIF
CASE (215) !P-43m
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='3c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='3d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='6f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6g') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='12h') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='12i') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (216) !F-43m
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4d') THEN
tau(1)=0.75_DP
tau(2)=0.75_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='16e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='24f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='24g') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='48h') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (217) !I-43m
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12d') THEN
tau(1)=0.25_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='12e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='24f') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='24g') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (218) !P-43n
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6c') THEN
tau(1)=0.25_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6d') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='12g') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='12h') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ENDIF
CASE (219) !F-43c
IF (TRIM(wp)=='8a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8b') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='24c') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='24d') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='32e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='48f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='48g') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.25_DP
ENDIF
CASE (220) !I-43d
IF (TRIM(wp)=='12a') THEN
tau(1)=0.375_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='12b') THEN
tau(1)=0.875_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='16c') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='24d') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ENDIF
CASE (221) !Pm-3m
IF (TRIM(wp)=='1a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='1b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='3c') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='3d') THEN
tau(1)=0.5_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6f') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8g') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12h') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='12i') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12j') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='24k') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='24l') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='24m') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (222) !Pn-3n
IF (origin_choice==1) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='12d') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='12e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16f') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='24g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='24h') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(1)
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='6b') THEN
tau(1)=0.75_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='16c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16d') THEN
tau(1)=0.0_DP
tau(2)=0.75_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='12e') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='16f') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='24g') THEN
tau(1)=inp(1)
tau(2)=0.75_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='24h') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=inp(1)
ENDIF
ENDIF
CASE (223) !Pm-3n
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6c') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6d') THEN
tau(1)=0.25_DP
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='12f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='12g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='12h') THEN
tau(1)=inp(1)
tau(2)=0.5_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16i') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='24j') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=inp(1)+0.5_DP
ELSEIF (TRIM(wp)=='24k') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (224) !Pn-3m
IF (origin_choice==1) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.75_DP
tau(2)=0.75_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='6d') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12f') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='12g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='24h') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='24i') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=-inp(1)+0.5_DP
ELSEIF (TRIM(wp)=='24j') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=inp(1)+0.5_DP
ELSEIF (TRIM(wp)=='24k') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='2a') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4c') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='6d') THEN
tau(1)=0.25_DP
tau(2)=0.75_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='8e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='12f') THEN
tau(1)=0.5_DP
tau(2)=0.25_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='12g') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='24h') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.75_DP
ELSEIF (TRIM(wp)=='24i') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=inp(1)+0.5_DP
ELSEIF (TRIM(wp)=='24j') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=-inp(1)+0.5_DP
ELSEIF (TRIM(wp)=='24k') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
ENDIF
CASE (225) !Fm-3m
IF (TRIM(wp)=='4a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='4b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='24d') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='24e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='48g') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='48h') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='48i') THEN
tau(1)=0.5_DP
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='96j') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='96k') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (226) !Fm-3c
IF (TRIM(wp)=='8a') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='8b') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='24c') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='24d') THEN
tau(1)=0.0_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='48e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='48f') THEN
tau(1)=inp(1)
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='64g') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='96h') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='96i') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (227) !Fd-3m
IF (origin_choice==1) THEN
IF (TRIM(wp)=='8a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='8b') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='16c') THEN
tau(1)=0.125_DP
tau(2)=0.125_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='16d') THEN
tau(1)=0.625_DP
tau(2)=0.625_DP
tau(3)=0.625_DP
ELSEIF (TRIM(wp)=='32e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='48f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='96g') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='96h') THEN
tau(1)=0.125_DP
tau(2)=inp(1)
tau(3)=-inp(1)+0.25_DP
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='8a') THEN
tau(1)=0.125_DP
tau(2)=0.125_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='8b') THEN
tau(1)=0.375_DP
tau(2)=0.375_DP
tau(3)=0.375_DP
ELSEIF (TRIM(wp)=='16c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16d') THEN
tau(1)=0.5_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='32e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='48f') THEN
tau(1)=inp(1)
tau(2)=0.125_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='96g') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='96h') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=-inp(1)
ENDIF
ENDIF
CASE (228) !Fd-3c
IF (origin_choice==1) THEN
IF (TRIM(wp)=='16a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='32b') THEN
tau(1)=0.125_DP
tau(2)=0.125_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='32c') THEN
tau(1)=0.375_DP
tau(2)=0.375_DP
tau(3)=0.375_DP
ELSEIF (TRIM(wp)=='48d') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='64e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='96f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='96g') THEN
tau(1)=0.125_DP
tau(2)=inp(1)
tau(3)=-inp(1)+0.25_DP
ENDIF
ELSEIF (origin_choice==2) THEN
IF (TRIM(wp)=='16a') THEN
tau(1)=0.125_DP
tau(2)=0.125_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='32b') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='32c') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='48d') THEN
tau(1)=0.875_DP
tau(2)=0.125_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='64e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='96f') THEN
tau(1)=inp(1)
tau(2)=0.125_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='96g') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=-inp(1)
ENDIF
ENDIF
CASE (229) !Im-3m
IF (TRIM(wp)=='2a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='6b') THEN
tau(1)=0.0_DP
tau(2)=0.5_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='8c') THEN
tau(1)=0.25_DP
tau(2)=0.25_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='12d') THEN
tau(1)=0.25_DP
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='12e') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16f') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='24g') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.5_DP
ELSEIF (TRIM(wp)=='24h') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='48i') THEN
tau(1)=0.25_DP
tau(2)=inp(1)
tau(3)=-inp(1)+0.5_DP
ELSEIF (TRIM(wp)=='48j') THEN
tau(1)=0.0_DP
tau(2)=inp(1)
tau(3)=inp(2)
ELSEIF (TRIM(wp)=='48k') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(2)
ENDIF
CASE (230) !Ia-3d
IF (TRIM(wp)=='16a') THEN
tau(1)=0.0_DP
tau(2)=0.0_DP
tau(3)=0.0_DP
ELSEIF (TRIM(wp)=='16b') THEN
tau(1)=0.125_DP
tau(2)=0.125_DP
tau(3)=0.125_DP
ELSEIF (TRIM(wp)=='24c') THEN
tau(1)=0.125_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='24d') THEN
tau(1)=0.375_DP
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='32e') THEN
tau(1)=inp(1)
tau(2)=inp(1)
tau(3)=inp(1)
ELSEIF (TRIM(wp)=='48f') THEN
tau(1)=inp(1)
tau(2)=0.0_DP
tau(3)=0.25_DP
ELSEIF (TRIM(wp)=='48g') THEN
tau(1)=0.125_DP
tau(2)=inp(1)
tau(3)=-inp(1)+0.25_DP
ENDIF
CASE DEFAULT
CALL errore('wypos','group not recognized',1)
END SELECT
IF (tau(1)==1.d5.OR.tau(2)==1.d5.OR.tau(3)==1.d5) THEN
IF (inp(1)==1.d5.OR.inp(2)==1.d5.OR.inp(3)==1.d5) THEN
CALL errore('wypos','wyckoff position not found',1)
ELSE
CALL infomsg('wypos','wyckoff position not found, assuming x y z')
tau(:)=inp(:)
END IF
END IF
END SUBROUTINE wypos
END MODULE
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