PROGRAM RLINE c revised 13feb93 C PROGRAM RLINE(TAPE11,OUTPUT,TAPE6=OUTPUT,TAPE12,TAPE13,TAPE93) C READS LINES FROM UNIT 11 AS CARD IMAGES C WL IS THE AIR WAVELENGTH IF WL .GT. 200 NM C IF THE SWITCH IFVAC=1 THE WAVELENGTH USED BY THE PROGRAM WILL C BE THE VACUUM WAVELENGTH OBTAINED FROM THE DIFFERENCE OF C THE ENERGY LEVELS C A SUFFIX P STANDS FOR PRIME INDICATING THE SECOND CONFIGURATION C J IS ANGULAR MOMENTUM C E IS ENERGY IN WAVENUMBERS C LABEL IS A LABEL FOR THE CONFIGURATION C THE GF TAPE DOES NOT KEEP LABEL AND LABELP DISTINCT C CODE FOR ATOM OR MOLECULE C NELION IS THE STORAGE LOCATION OF ELEM IN ARRAYS XNFPEL AND DOPPLE C GAMMAR IS THE RADIATIVE DAMPING CONSTANT C GAMMAW IS THE DAMPING CONSTANT PER HYDROGEN ATOM FOR VAN DER WAALS C BROADENING BY HYDROGEN AT T=10000K. C =84762*C6**.4 FROM ALLER C FOR HELIUM MULTIPLY BY .42 C FOR H2 MULTIPLY BY .85 C GAMMAS IS THE STARK DAMPING CONSTANT PER ELECTRON ASSUMED TO BE C TEMPERATURE INDEPENDENT C =15385*C4**(2/3) AT 10000K FROM ALLER C TO CONVERT GRIEM'S HALF WIDTH TO GAMMAS FOR DLAM AND LAM IN A C GAMMAS=3767.*DLAM/LAM**2 C LOG(GAMMA) IS READ IN C IF NOT READ IN GAMMAR IS CLASSICAL, GAMMAW IS FROM ALLER, AND C GAMMAS IS FROM PEYTREMANN C REF ARE A REFERENCE OR REFERENCES FOR GF AND DAMPING CONSTANTS C NBLO AND NBUP REFER TO DEPARTURE COEFFICIENT ARRAYS FOR THE LOWER C AND UPPER LEVELS (NOT FIRST AND SECOND) C ISO1 AND ISO2 ARE ISOTOPE NUMBERS FOR UP TO 2 COMPONENTS C X1 AND X2 ARE LOG FRACTIONAL ISOTOPIC ABUNDANCES THAT ARE ADDED TO C LOG GF TO OBTAIN AN ISOTOPIC ABUNDANCE C OTHER1 AND 2 ARE ADDITIONAL LABEL FIELDS OR QUANTUM NUMBERS OR C WHATEVER C OTHER1 IS NOW USED TO STORE LANDE G VALUES AS 2 I5 INTEGERS IN UNITS C OF .001 . EXAMPLE GLANDE=-.007 GLANDEP=2.499 OTHER1= -7 2499 C DWL A CORRRECTION TO THE WAVELENGTH C DGFLOG A CORRECTION TO THE LOGGF C DGAMMAR A LOG CORRECTION TO GAMMAR C DGAMMAS A LOG CORRECTION TO GAMMAS C DGAMMAW A LOG CORRECTION TO GAMMAW C DWLISO ISOTOPE SHIFT C SAMPLE CARDS C 396.8470 -0.162 0.5 0.000 1.5 25191.541 20.01 4S 4P C 396.8470 116 8.24 -4.44 -7.80 REF PARAMETER (kw=99) COMMON /LINDAT/WL,E,EP,LABEL(2),LABELP(2),OTHER1(2),OTHER2(2), 1 WLVAC,CENTER,CONCEN, NELION,GAMMAR,GAMMAS,GAMMAW,REF, 2 NBLO,NBUP,ISO1,X1,ISO2,X2,GFLOG,XJ,XJP,CODE,ELO,GF,GS,GR,GW, 3 DWL,DGFLOG,DGAMMAR,DGAMMAS,DGAMMAW,DWLISO,EXTRA2,EXTRA3 REAL*8 LINDAT8(14) REAL*4 LINDAT(28) EQUIVALENCE (LINDAT8(1),WL),(LINDAT(1),NELION) REAL*8 RESOLU,RATIO,RATIOLG,SIGMA2,WLBEG,WLEND REAL*8 WL,E,EP,WLVAC,CENTER,CONCEN REAL*8 LABEL,LABELP,OTHER1,OTHER2 CHARACTER*20 NOTES DIMENSION NDELET(50000),NELDLT(594),DECKJ(7,kw) COMMON /POTION/POTION(594) DIMENSION DELLIM(7) DIMENSION NTENS(10) DATA NTENS/1,10,100,1000,10000,100000,1000000,10000000, 1 100000000,1000000000/ DATA DELLIM/100.,30.,10.,3.,1.,.3,.1/ CALL BEGTIME READ(93)NLINES,LENGTH,IFVAC,IFNLTE,N19,TURBV,DECKJ,IFPRED, 1WLBEG,WLEND,RESOLU,RATIO,RATIOLG,CUTOFF,LINOUT,NDELET,NELDLT C WRITE(6,7777)WLBEG,WLEND,RESOLU,RATIO,RATIOLG,CUTOFF C 7777 FORMAT(1P6E15.8) IXWLBEG=DLOG(WLBEG)/RATIOLG IF(DEXP(IXWLBEG*RATIOLG).LT.WLBEG)IXWLBEG=IXWLBEG+1 OPEN(UNIT=11,STATUS='OLD',READONLY,SHARED) OPEN(UNIT=12,STATUS='OLD',FORM='UNFORMATTED',ACCESS='APPEND') OPEN(UNIT=13,STATUS='OLD',FORM='UNFORMATTED',ACCESS='APPEND') DELFAC=1. IF(WLBEG.GE.1000.)DELFAC=2. IF(WLBEG.GE.3000.)DELFAC=4. DO 900 ILINE=1,1000000 READ(11,140,END=145) 1WL,GFLOG,XJ,E,XJP,EP,CODE,LABEL,LABELP,DWLISO,WL,NELION, 2GAMMAR,GAMMAS,GAMMAW,REF,NBLO,NBUP,ISO1,X1,ISO2,X2,OTHER1, 3OTHER2,DWL,DGFLOG,DGAMMAR,DGAMMAS,DGAMMAW,NOTES 140 FORMAT(F10.4,F7.3,F5.1,F12.3,F5.1,F12.3,F9.2,A8,A2,A8,A2,F7.3/ 1F10.4,I4,F6.2,F6.2,F6.2,A4,I2,I2,I3,F7.3,I3,F7.3,A8,A2,A8,A2, 2F7.4,F7.3,3F6.2,A20) WLVAC=DABS(WL)+DWL+DWLISO IF(IFVAC.EQ.1)WLVAC=1.E7/DABS(DABS(EP)-DABS(E))+DWL+DWLISO DECODE(10,143,OTHER2)O1,NKP 143 FORMAT(A1,3X,I6) LIM=7 C IF(O1.EQ.1H )LIM=7 C IF(O1.EQ.1H0)LIM=7 C IF(O1.EQ.1H1)LIM=7 IF(O1.EQ.1H2)LIM=6 IF(O1.EQ.1H3)LIM=5 IF(O1.EQ.1H4)LIM=4 IF(O1.EQ.1H5)LIM=3 IF(O1.EQ.1H6)LIM=2 IF(O1.EQ.1H7)LIM=1 IF(WLVAC.LT.WLBEG-DELLIM(LIM)*DELFAC)GO TO 900 IF(WLVAC.GT.WLEND+DELLIM(LIM)*DELFAC)GO TO 900 C WRITE(6,144)WL,GFLOG,XJ,E,XJP,EP,CODE,LABEL,LABELP,WL,NELION, C 1GAMMAR,GAMMAS,GAMMAW,REF,NBLO,NBUP,ISO1,X1,ISO2,X2,OTHER1,OTHER2 C 144 FORMAT(F11.4,F7.3,F5.1,F12.3,F5.1,F12.3,F9.2,A8,A2,A8,A2/ C 1F11.4,I4,F6.2,F6.2,F6.2,A4,I2,I2,I3,F7.3,I3,F7.3,A8,A2,A8,A2) c IF((CODE.LT.100.).AND.(CODE.NE.26.01).AND.(NKP.GT.0).AND. IF((CODE.LT.100.).AND.(NKP.GT.0).AND. 1(WL.GT.0.).AND. 2(MOD(NDELET(NKP/10+1)/NTENS(MOD(NKP,10)+1),10).EQ.0)) 3NDELET(NKP/10+1)=NDELET(NKP/10+1)+NTENS(MOD(NKP,10)+1) IXWL=DLOG(WLVAC)/RATIOLG+.5D0 NBUFF=IXWL-IXWLBEG+1 GR=GAMMAR GS=GAMMAS GW=GAMMAW GF=EXP((GFLOG+DGFLOG+X1+X2)*2.30258509299405E0) ELO=DMIN1(DABS(E),DABS(EP)) ZEFF=(CODE-FLOAT(IFIX(CODE)))*100.+1. GAMMAR=EXP((GAMMAR+DGAMMAR)*2.30258509299405E0) GAMMAS=EXP((GAMMAS+DGAMMAS)*2.30258509299405E0) GAMMAW=EXP((GAMMAW+DGAMMAW)*2.30258509299405E0) IF(GAMMAR.EQ.1.)THEN GAMMAR=2.223E13/WLVAC**2 GR=ALOG10(GAMMAR) ENDIF IF(GAMMAS.NE.1..AND.GAMMAW.NE.1.)GO TO 141 IF(GAMMAS.NE.1.)GO TO 138 IF(CODE.GE.100.)GO TO 137 EUP=DMAX1(DABS(E),DABS(EP)) EFFNSQ=25. DELEUP=POTION(NELION)-EUP IF(DELEUP.GT.0.)EFFNSQ=109737.31*ZEFF**2/DELEUP EFFNSQ=AMIN1(EFFNSQ,100.) GAMMAS=1.0E-8*EFFNSQ**2*SQRT(EFFNSQ) GS=ALOG10(GAMMAS) GO TO 138 137 GAMMAS=1.0E-5 GS=-5. 138 IF(GAMMAW.NE.1.)GO TO 141 IF(CODE.GE.100.)GO TO 139 EUP=DMAX1(DABS(E),DABS(EP)) EFFNSQ=25. DELEUP=POTION(NELION)-EUP IF(DELEUP.GT.0.)EFFNSQ=109737.31*ZEFF**2/DELEUP EFFNSQ=AMIN1(EFFNSQ,100.) RSQ=2.5*(EFFNSQ/ZEFF)**2 NSEQ=CODE-ZEFF+1. IF(NSEQ.GT.20.AND.NSEQ.LT.29)RSQ=(45.-FLOAT(NSEQ))/ZEFF GAMMAW=4.5E-9*RSQ**.4 GW=ALOG10(GAMMAW) GO TO 141 139 GAMMAW=1.E-7/ZEFF GW=ALOG10(GAMMAW) 141 FREQ=2.997925E17/WLVAC CONGF=.01502*GF/FREQ FRQ4PI=FREQ*12.5664 GAMRF=GAMMAR/FRQ4PI GAMSF=GAMMAS/FRQ4PI GAMWF=GAMMAW/FRQ4PI WRITE(6,144)WL,GFLOG,XJ,E,XJP,EP,CODE,LABEL,LABELP,DWLISO, 1WL,NELION,GR,GS,GW,REF,NBLO,NBUP,ISO1,X1,ISO2,X2,OTHER1,OTHER2, 2DWL,DGFLOG,DGAMMAR,DGAMMAS,DGAMMAW,NOTES 144 FORMAT(F11.4,F7.3,F5.1,F12.3,F5.1,F12.3,F9.2,A8,A2,A8,A2,F7.4/ 1F11.4,I4,F6.2,F6.2,F6.2,A4,I2,I2,I3,F7.3,I3,F7.3,A8,A2,A8,A2, 2F7.4,F7.3,3F6.2,A20) WRITE(12)NBUFF,CONGF,NELION,ELO,GAMRF,GAMSF,GAMWF IF(LINOUT.GE.0)WRITE(13)LINDAT8,LINDAT NLINES=NLINES+1 900 CONTINUE 145 WRITE(6,1118)NLINES 1118 FORMAT(I10,25H LINES WRITTEN ON TAPE 12) REWIND 93 WRITE(93)NLINES,LENGTH,IFVAC,IFNLTE,N19,TURBV,DECKJ,IFPRED, 1WLBEG,WLEND,RESOLU,RATIO,RATIOLG,CUTOFF,LINOUT,NDELET,NELDLT CALL ENDTIME CALL EXIT END SUBROUTINE IONPOTS C C Moore, C.E., NSRDS-NBS 34,1970,22pp. C AEL, rare-earth elements, 1978,NSRDS-NBS 60,411pp. C Kelley,R.L. and Harrison, D.E, Atomic Data 3,177-193,1971. Ga V,VI,Ge VI C Martin,W.C. et al. ,JPCRDa,3,771-780,1974. Ac I-Es I C Guess 55.02 56.02 73.01 73.02 74.01 74.02 75.01 75.02 76.01 76.01 C Guess 77.01 77.02 78.02 79.02 84.01 84.02 85.00 85.01 85.02 86.01 86.02 C Guess 87.00 87.01 87.02 88.02 89.02 91.01 91.02 92.01 92.02 93.01 93.02 C Guess 94.01 94.02 95.01 95.02 96.01 96.02 97.01 97.02 98.01 98.02 C Guess 99.01 99.02 C COMMON /POTION/POTION(594) DIMENSION POTA(114),POTB(114),POTC(114),POTD(114),POTE(114) DIMENSION POTF(24) EQUIVALENCE (POTION(1),POTA(1)),(POTION(115),POTB(1)) EQUIVALENCE (POTION(229),POTC(1)),(POTION(343),POTD(1)) EQUIVALENCE (POTION(457),POTE(1)),(POTION(571),POTF(1)) DATA POTA/ 1 109678.764, 0. , 0. , 0. , 0. , 0. , 1 2 198310.76 , 438908.85 , 0. , 0. , 0. , 0. , 2 3 43487.150, 610079.0 , 987660.1 , 0. , 0. , 0. , 3 4 75192.07 , 146882.86 ,1241259.4 ,1756018.7, 0. , 0. , 4 5 66928.10 , 202887.4 , 305931.1 ,2092001.4,2744105.1, 0. , 5 6 90820.42 , 196664.7 , 386241.0 , 520178.4,3162395. ,3952061.4, 6 7 117225.4 , 238750.5 , 382704. , 624866. , 789537.2,4452758. , 7 8 109837.02 , 283240. , 443086. , 624383.8, 918657. ,1114008. , 8 9 140524.5 , 282058.6 , 505777. , 702830. , 921430. ,1267622. , 9 T 173929.70 , 330391.0 , 511800. , 783300. ,1018000. ,1273800. , 10 1 41449.44 , 381395. , 577800. , 797800. ,1116200. ,1388500. , 11 2 61671.02 , 121267.61 , 646410. , 881100. ,1139400. ,1504300. , 12 3 48278.37 , 151860.4 , 229445.71, 967800. ,1239800. ,1536300. , 13 4 65747.5 , 131838.4 , 270139.3 , 364093.1,1345100. ,1653900. , 14 5 84580. , 159100. , 243400. , 414312.4, 524460. ,1777900. , 15 6 83558.0 , 188200. , 280900. , 381541.4, 586200. , 710184. , 16 7 104591.0 , 192070. , 319500. , 431226. , 547000. , 782600. , 17 8 127109.9 , 222848.2 , 328600. , 482400. , 605100. , 734040. , 18 9 35009.77 , 255076. , 368800. , 491300. , 666700. , 806600. / 19 DATA POTB/ 1 49305.72 , 95751.87 , 410614.1 , 541200. , 680800. , 877400. , 20 2 52750. , 103240. , 199700. , 592600. , 739300. , 896000. , 21 3 55010. , 109506. , 221735. , 348973. , 800300. , 962700. , 22 4 54400. , 118200. , 236400. , 376730. , 526100. ,1033400. , 23 5 54570. , 133060. , 249700. , 396000. , 559000. , 730400. , 24 6 59970. , 126145. , 271550. , 413000. , 584000. , 766000. , 25 7 63480. , 130524. , 247221. , 442000. , 604900. , 798500. , 26 8 63430. , 137572. , 270200. , 413800. , 641200. , 823000. , 27 9 61579. , 146541.56 , 283700. , 442800. , 609000. , 871000. , 28 T 62317.2 , 163669.2 , 297100. , 445124. , 644500. , 831000. , 29 1 75768.10 , 144892.6 , 320390. , 479100. , 666000. , 871000. , 30 2 48387.63 , 165458. , 247700. , 517600. , 726000. , 944000. , 31 3 63715. , 128521.3 , 276036. , 368701. , 753800. , 968000. , 32 4 79165. , 150290. , 228670. , 404369. , 505136. ,1028800. , 33 5 78658.22 , 170900. , 248583. , 346375. , 551000. , 658994. , 34 6 95284.8 , 175870. , 289529. , 381600. , 481600. , 714800. , 35 7 112914.5 , 196474.8 , 298020. , 423600. , 522000. , 633300. , 36 8 33690.81 , 220048. , 320000. , 424400. , 572800. , 680900. , 37 9 45932.0 , 88964.0 , 351800. , 460000. , 577700. , 732600. / 38 DATA POTC/ 1 51447. , 98690. , 165500. , 498600. , 621200. , 750300. , 39 2 55145. , 105900. , 185400. , 276970. , 657600. , 0. , 40 3 55511. , 115500. , 202000. , 308600. , 407700. , 827300. , 41 4 57260. , 130300. , 219100. , 374180. , 493360. , 549000. , 42 5 58700. , 123100. , 238300. , 0. , 0. , 0. , 43 6 59410. , 135200. , 229600. , 0. , 0. , 0. , 44 7 60197. , 145800. , 250500. , 0. , 0. , 0. , 45 8 67236. , 156700. , 265600. , 0. , 0. , 0. , 46 9 61106.50 , 173300. , 280900. , 0. , 0. , 0. , 47 T 72538.8 , 136374.74 , 302300. , 0. , 0. , 0. , 48 1 46670.11 , 152195. , 226100. , 439000. , 0. , 0. , 49 2 59231.8 , 118017.0 , 246020.0 , 328550. , 583000. , 0. , 50 3 69700. , 133327.5 , 204248. , 356156. , 449300. , 868000. , 51 4 72667. , 150000. , 225500. , 301776. , 473900. , 570000. , 52 5 84295.1 , 154304. , 266000. , 0. , 0. , 0. , 53 6 97834.0 , 171068.4 , 259089. , 0. , 0. , 0. , 54 7 31406.432, 202263. , 280000. , 0. , 0. , 0. , 55 8 42035.14 , 80686.87 , 300000. , 0. , 0. , 0. , 56 9 44981. , 89200. , 154675. , 402900. , 497000. , 0. / 57 DATA POTD/ 1 44672. , 87500. , 162903. , 296470. , 528700. , 626000. , 58 2 44070. , 85100. , 174407. , 314400. , 464000. , 0. , 59 3 44562. , 86500. , 178600. , 326000. , 0. , 0. , 60 4 44800. , 87900. , 180000. , 331000. , 0. , 0. , 61 5 45519. , 89300. , 189000. , 334000. , 0. , 0. , 62 6 45734.9 , 90665. , 201000. , 344000. , 0. , 0. , 63 7 49603. , 97500. , 166400. , 355000. , 0. , 0. , 64 8 47295. , 92900. , 176700. , 317500. , 0. , 0. , 65 9 47900. , 94100. , 183800. , 334000. , 0. , 0. , 66 T 48567. , 95200. , 184200. , 343000. , 0. , 0. , 67 1 49262. , 96200. , 183400. , 344000. , 0. , 0. , 68 2 49879.8 , 97200. , 191000. , 344000. , 0. , 0. , 69 3 50441.0 , 98269. , 202070. , 351300. , 0. , 0. , 70 4 43762.39 , 112000. , 169049. , 364960. , 538700. , 0. , 71 5 56600. , 120000. , 187800. , 268500. , 0. , 0. , 72 6 63600. , 131000. , 194000. , 0. , 0. , 0. , 73 7 64400. , 143000. , 202000. , 0. , 0. , 0. , 74 8 63530. , 134000. , 210000. , 0. , 0. , 0. , 75 9 70450. , 137000. , 218000. , 0. , 0. , 0. / 76 DATA POTE/ 1 73000. , 161000. , 226000. , 0. , 0. , 0. , 77 2 72300. , 149723. , 234000. , 0. , 0. , 0. , 78 3 74410. , 165000. , 242000. , 0. , 0. , 0. , 79 4 84184.1 , 151280. , 276000. , 0. , 0. , 0. , 80 5 49266.7 , 164765. , 240600. , 0. , 0. , 0. , 81 6 59819.4 , 121243. , 257592. , 341350. , 555000. , 0. , 82 7 58790. , 134600. , 206180. , 365500. , 451700. , 712000. , 83 8 67885.3 , 153000. , 218000. , 0. , 0. , 0. , 84 9 75000. , 161000. , 242000. , 0. , 0. , 0. , 85 T 86692.5 , 161000. , 242000. , 0. , 0. , 0. , 86 1 32000. , 177000. , 266000. , 0. , 0. , 0. , 87 2 42577.35 , 81842.31 , 274000. , 0. , 0. , 0. , 88 3 41700. , 97300. , 161000. , 0. , 0. , 0. , 89 4 49000. , 93000. , 161000. , 231900. , 0. , 0. , 90 5 47500. , 95000. , 161000. , 0. , 0. , 0. , 91 6 48800. , 95000. , 161000. , 0. , 0. , 0. , 92 7 49900. , 95000. , 161000. , 0. , 0. , 0. , 93 8 48900. , 95000. , 161000. , 0. , 0. , 0. , 94 9 48300. , 95000. , 161000. , 0. , 0. , 0. / 95 DATA POTF/ 1 48600. , 95000. , 161000. , 0. , 0. , 0. , 96 2 50200. , 95000. , 161000. , 0. , 0. , 0. , 97 3 50800. , 95000. , 161000. , 0. , 0. , 0. , 98 4 51800. , 95000. , 161000. , 0. , 0. , 0. / 99 RETURN END