! ! 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