8 RTO-ORTH$MAIN0122-Oct-1996 22:46DEC Fortran V6.3-141 RTO-ORTH$MAINP)(  RTO-ORTH$MAINENTER NAME OF rot-trans op (.o): RESULTING NCS OPERATOR: ROTATE MATRIX TRANSLATE this operator will be saved as an O datablock RT.O Note this operator is for orthogpnal coord, A translation You will have to convert for your cell. ENTER NAME FOR output of resulting rot-trans op (.o):.SPACE_GROUP_operators r 12 (3f14.7)DP((( D"L8D<@`@4L Z3e;-5L)5  P H8[ FOR$WRITE_SL$ FOR$IO_T_DS FOR$IO_END FOR$READ_SF  FOR$IO_T_DS FOR$IO_END)^FOR$STOP, FOR$INQUIREkHFOR$OPEN FOR$READ_SF FOR$IO_T_DS FOR$IO_END\~R FOR$READ_SL~b FOR$IO_X_NL FOR$IO_ENDR\dN FOR$CLOSElMATPRN|DECOMP FOR$WRITE_SLˌ FOR$IO_T_DS FOR$IO_END FOR$WRITE_SL˔ FOR$IO_T_DS FOR$IO_ENDS  FOR$WRITE_SF\~CRb FOR$IO_D_RR\ FOR$IO_ENDS FOR$WRITE_SL˜ FOR$IO_T_DS FOR$IO_END  FOR$WRITE_SF\~R FOR$IO_D_R\ FOR$IO_END FOR$WRITE_SLˤ FOR$IO_T_DS FOR$IO_END FOR$WRITE_SLˬ FOR$IO_T_DS FOR$IO_END FOR$WRITE_SL˴ FOR$IO_T_DS FOR$IO_END FOR$WRITE_SL˼ FOR$IO_T_DS FOR$IO_END FOR$READ_SF FOR$IO_T_DS FOR$IO_ENDFOR$OPEN FOR$WRITE_SL FOR$IO_T_DS FOR$IO_ENDS~R FOR$WRITE_SF~b FOR$IO_X_NL FOR$IO_ENDRSP^P  H RTO-ORTH$MAIN FOR$INQUIREFOR$OPEN FOR$CLOSEMATPRNDECOMPy$CODEc$PDATA<$LOCALFOR$STOP FOR$IO_END FOR$IO_D_R FOR$IO_T_DS FOR$IO_X_NL FOR$READ_SF FOR$READ_SL FOR$WRITE_SF FOR$WRITE_SLPP=1y1MATPRN0122-Oct-1996 22:46DEC Fortran V6.3-141 MATPRN P  MATPRNM, N=P  `PI[Ь м R FOR$WRITE_SL FOR$IO_T_DSݼ FOR$IO_L_VR FOR$IO_L_V FOR$IO_ENDмSTռ~U FOR$WRITE_SFVRTP~@Wg FOR$IO_D_RWRV FOR$IO_ENDST IMATPRN$CODE $PDATA$$LOCAL FOR$IO_END FOR$IO_L_V FOR$IO_D_R FOR$IO_T_DS FOR$WRITE_SF FOR$WRITE_SLPPBmP 1DECOMP0122-Oct-1996 22:46DEC Fortran V6.3-141 DECOMP'P    DECOMPRt*R, test orthonormality:SSQE= RMSERROR BETWEEN ORIG MAT AND S*R =P  `  `$ >$C$ PO[^Ь Ь ( FOR$WRITE_SL FOR$IO_END FOR$WRITE_SL, FOR$IO_T_DS FOR$IO_ENDRPRQ~BSPT|cWTX~HXQY~IYeU`UcWSP FOR$WRITE_SFZ~BUe FOR$IO_D_RUZ FOR$IO_ENDRW~YT~D(VSWZ~J(U|eUS}iP MTH$DSQRT_R5}Pf Y VWRSRT~D(U~BP}e`UPSR4MATINVZW~JPVWT|fR~DP~JQeaX`XfQRVWZUX~(YP~HPRXS~C(TcbdVvVZEZZS@SUDZVZV`VbRTPX FOR$WRITE_SLD FOR$IO_T_DSU FOR$IO_F_V FOR$IO_ENDQU,̼SZ~CPVSW~G(X}fhVXZS1QW~APPWZ|`S~JYQV~FVefT`T`VSPWQԭTX~DYXZ|iWZP~@(Q~DPPe`R`RiPWYXU~R~STQ~AV~DWcgfc6VPecX`XPvPZZVWU FOR$WRITE_SFXTY~IZj FOR$IO_D_RZXU~DVf FOR$IO_D_RVUS~R FOR$IO_D_RS FOR$IO_ENDT* FOR$WRITE_SLL FOR$IO_T_DSЭP MTH$SQRT_R3P FOR$IO_F_V FOR$IO_ENDX~ZY~HPUXV~FT}edUTYX FOR$WRITE_SL FOR$IO_END FOR$WRITE_SLT FOR$IO_T_DS FOR$IO_ENDYЭT~DTX|dQXW~GWYU~EUeR`RdQT FOR$WRITE_SFЭV~F`߫\ FOR$IO_X_NL FOR$IO_END ODECOMP MTH$DSQRTMATINVMTH$SQRT$$CODEg$PDATA\$LOCAL FOR$IO_END FOR$IO_F_V FOR$IO_D_R FOR$IO_T_DS FOR$IO_X_NL FOR$WRITE_SF FOR$WRITE_SL MTH$SQRT_R3 MTH$DSQRT_R5 P+ 1 +<DH QY$1MATINV0122-Oct-1996 22:46DEC Fortran V6.3-141 MATINV MATINVYP  $POP[^Ь4@мPP PSP1UPVSWSP޻@TSXSPXYWYI@YˏUZˏiRQZRiUWCXC YPXVWSUԼ 1CZZSRP޻@QSXH@YZVF@WiTgiRTg Y WPRCVVS1XTPSQVQRB@ZVWG@YjWiRWPTRSXP޻@WRSRXQGUAgTRTAgPRPVY޻@ZPQPYSQSYXTQRSRWEGjDjTYR@TBjPQVYWPWSWRSRFUBjPWSXGUHjSPP1޻@YíPRRBWWRTPRUWUXH@ZWSC@XjQRhQPTBSSRQPRTD@USWG@XeWRheWh U XPQG OMATINV2$CODE$PDATA$LOCAL+Pr>PFKP5lP PPP3P,P/P(P P ?P3FP(LPQPyPP PP0P)P,P%# )*->B2