$ Set NoOn $ VERIFY = F$VERIFY(F$TRNLNM("SYLOGIN_VERIFY")) %SET-W-NOTSET, error modifying CFAKU1$DKB0: -SET-E-INVDEV, device is invalid for requested operation $ EXIT $SETCRAY $FOR/LIS EXPANDFORBIDDEN3007 $TYPE EXPANDFORBIDDEN3007 EXPANDFORBIDDEN3007 Source Listing 23-JUL-2010 01:06:01 HP Fortran V7.6-3276 Page 1 9-JAN-2010 16:29:46 KU6E:[KURUCZ.CRAY]EXPANDFORBIDDEN3007.FOR;28 1 PROGRAM EXPANDFORBIDDEN3007 2 C Puts the linelist and energy levels together and writes lines 3 C in 160 column format. If input is wavelengths output is wavelengths. 4 C If input is wavenumbers output is wavenumbers. 5 C 6 C TAPE1 GAM*E.LIN OR *.WNLIN input wavelength or wavenumber linelist 7 C TAPE2 GAM*O.LIN OR *.WNLIN input wavelength or wavenumber linelist 8 C TAPE3 GAQ*E.LIN OR *.WNLIN input wavelength or wavenumber linelist 9 C TAPE4 GAQ*O.LIN OR *.WNLIN input wavelength or wavenumber linelist 10 C (air nm) (cm-1) 11 C TAPE8 GF*.GAM input energy levels 12 C 13 C TAPE11 GAM*E.LINES or *.WNLINES output lines 14 C TAPE12 GAM*E.META or *.WNMETA subset of GF*.LINES with metastable levels 15 C TAPE13 GAM*E.POS or *.WNPOS subset of GA*.LINES with good wl 16 C TAPE14 GFM*E.METAPOS or *.WNMETAPOS subset of GA*.META with good wl 17 C 18 C TAPE21 GAM*O.LINES or *.WNLINES output lines 19 C TAPE22 GAM*O.META or *.WNMETA subset of GF*.LINES with metastable levels 20 C TAPE23 GAM*O.POS or *.WNPOS subset of GA*.LINES with good wl 21 C TAPE24 GFM*O.METAPOS or *.WNMETAPOS subset of GA*.META with good wl 22 C 23 C TAPE31 GAQ*E.LINES or *.WNLINES output lines 24 C TAPE32 GAQ*E.META or *.WNMETA subset of GF*.LINES with metastable levels 25 C TAPE33 GAQ*E.POS or *.WNPOS subset of GA*.LINES with good wl 26 C TAPE34 GFQ*E.METAPOS or *.WNMETAPOS subset of GA*.META with good wl 27 C 28 C TAPE41 GAQ*O.LINES or *.WNLINES output lines 29 C TAPE42 GAQ*O.META or *.WNMETA subset of GF*.LINES with metastable levels 30 C TAPE43 GAQ*O.POS or *.WNPOS subset of GA*.LINES with good wl 31 C TAPE44 GFQ*O.METAPOS or *.WNMETAPOS subset of GA*.META with good wl 32 C 33 IMPLICIT REAL*8 (A-H,O-Z) 34 CHARACTER*80 STRING80 35 CHARACTER*10 ELABJE(20000),ELABJO(20000) 36 CHARACTER*28 ELABE(20000),ELABO(20000),ELAB,ELABP 37 CHARACTER*4 REF 38 CHARACTER*3 EVEODD(20000),ODDEVE(20000),PARITY,EVENODD 39 CHARACTER*10 OTHER1,OTHER2 40 CHARACTER*1 EMQ 41 REAL*8 EXTRAJE(20000),EXTRAJO(20000) 42 REAL*8 XJE(20000),LJE(20000),ASUME(20000), 43 1EJE(20000),WAALSE(20000),STARKE(20000),FSUME(20000),GLANDEE(20000) 44 REAL*8 XJO(20000),LJO(20000),ASUMO(20000), 45 1EJO(20000),WAALSO(20000),STARKO(20000),FSUMO(20000),GLANDEO(20000) 46 47 C WRITE(8,996)ELEM,NLINES,NPOS,JJSUML,JJSUMLP,IEION,EVENODD 48 C 996 FORMAT(F5.2,I10,' lines saved',I10,' positive lines saved',I7, 49 C 1' even',I7,' odd levels',I10,' ion pot cm-1') 50 READ(8,1)ELEM,NLINES,NPOS,NE,NO,IEION,EVENODD 51 1 FORMAT(F5.2,I10,12X,I10,21X,I7,5X,I7,11X,I10,14X,A3) 52 PRINT 996,ELEM,NLINES,NPOS,NE,NO,IEION,EVENODD 53 996 FORMAT(F6.2,I10,' lines saved',I10,' positive lines saved',I7, 54 1' even',I7,' odd levels',I10,' ion pot cm-1',1X,A3) 55 EION=IEION 56 DO 987 ISKIP=1,29 57 READ(8,991)STRING80 EXPANDFORBIDDEN3007 Source Listing 23-JUL-2010 01:06:01 HP Fortran V7.6-3276 Page 2 9-JAN-2010 16:29:46 KU6E:[KURUCZ.CRAY]EXPANDFORBIDDEN3007.FOR;28 58 991 FORMAT(A80) 59 PRINT 997,STRING80 60 997 FORMAT(1X,A80) 61 IF(STRING80(1:4).EQ.'ELEM')GO TO 988 62 987 CONTINUE 63 988 CONTINUE 64 IF(EVENODD.EQ.'odd')THEN 65 DO 334 K=1,NO 66 334 READ(8,2)ODDEVE(K),EJO(K),XJO(K),ELABJO(K),GLANDEO(K),ASUMO(K), 67 1STARKO(K),WAALSO(K) 68 DO 333 K=1,NE 69 333 READ(8,2)EVEODD(K),EJE(K),XJE(K),ELABJE(K),GLANDEE(K),ASUME(K), 70 1STARKE(K),WAALSE(K) 71 DO 339 K=1,NO 72 339 READ(8,7)ELABO(K),EXTRAJO(K) 73 DO 338 K=1,NE 74 338 READ(8,7)ELABE(K),EXTRAJE(K) 75 ELSE 76 DO 3 K=1,NE 77 3 READ(8,2)EVEODD(K),EJE(K),XJE(K),ELABJE(K),GLANDEE(K),ASUME(K), 78 1STARKE(K),WAALSE(K) 79 2 FORMAT(5X,A3,4X,F12.3,F5.1,1X,A10,F7.3,1P3E9.2,0PF10.3) 80 DO 4 K=1,NO 81 4 READ(8,2)ODDEVE(K),EJO(K),XJO(K),ELABJO(K),GLANDEO(K),ASUMO(K), 82 1STARKO(K),WAALSO(K) 83 7 FORMAT(12X,A28,E24.14) 84 DO 8 K=1,NE 85 8 READ(8,7)ELABE(K),EXTRAJE(K) 86 DO 9 K=1,NO 87 9 READ(8,7)ELABO(K),EXTRAJO(K) 88 ENDIF 89 CLOSE(UNIT=8) 90 C 91 DO 999 IT=1,4 92 JT1=IT*10+1 93 JT2=IT*10+2 94 JT3=IT*10+3 95 JT4=IT*10+4 96 JT5=IT*10+5 97 OPEN(UNIT=IT,STATUS='OLD') 98 OPEN(UNIT=JT1,STATUS='NEW',RECL=160,CARRIAGECONTROL='LIST') 99 OPEN(UNIT=JT2,STATUS='NEW',RECL=160,CARRIAGECONTROL='LIST') 100 OPEN(UNIT=JT3,STATUS='NEW',RECL=160,CARRIAGECONTROL='LIST') 101 OPEN(UNIT=JT4,STATUS='NEW',RECL=160,CARRIAGECONTROL='LIST') 102 OPEN(UNIT=JT5,STATUS='NEW',RECL=160,CARRIAGECONTROL='LIST') 103 READ(IT,'(I22,1X,A1,1X,A3)')ICODE,EMQ,PARITY 104 CODE=FLOAT(ICODE)*.01 105 ICHARGE=MOD(ICODE,100) 106 NELION=(ICODE/100-1)*6+ICHARGE+1 107 NBLO=0 108 NBUP=0 109 ISO1=0 110 X1=0. 111 ISO2=0 112 X2=0. 113 OTHER1=' ' 114 OTHER2=' ' EXPANDFORBIDDEN3007 Source Listing 23-JUL-2010 01:06:01 HP Fortran V7.6-3276 Page 3 9-JAN-2010 16:29:46 KU6E:[KURUCZ.CRAY]EXPANDFORBIDDEN3007.FOR;28 115 ISOSHIFT=0 116 DO 99 ILINE=1,99999999 117 READ(IT,5,END=100)WL,GALOG,K,KP,IFPRED 118 C PRINT 5,WL,GFLOG,K,KP,IFPRED 119 5 FORMAT(F18.8,F7.3,I5,I5,I1,I4) 120 IF(PARITY.EQ.'ODD')THEN 121 E=EXTRAJO(K) 122 EP=EXTRAJO(KP) 123 ELAB=ELABO(K) 124 ELABP=ELABO(KP) 125 ASUM=ASUMO(K) 126 ASUMP=ASUMO(KP) 127 STARK=STARKO(K) 128 STARKP=STARKO(KP) 129 WAALS=WAALSO(K) 130 WAALSP=WAALSO(KP) 131 LANDE=GLANDEO(K)*1000.+.5 132 LANDEP=GLANDEO(KP)*1000.+.5 133 IF(LANDE.LT.0)LANDE=GLANDEO(K)*1000.-.5 134 IF(LANDEP.LT.0)LANDEP=GLANDEO(KP)*1000.-.5 135 ELSE 136 E=EXTRAJE(K) 137 EP=EXTRAJE(KP) 138 ELAB=ELABE(K) 139 ELABP=ELABE(KP) 140 ASUM=ASUME(K) 141 ASUMP=ASUME(KP) 142 STARK=STARKE(K) 143 STARKP=STARKE(KP) 144 WAALS=WAALSE(K) 145 WAALSP=WAALSE(KP) 146 LANDE=GLANDEE(K)*1000.+.5 147 LANDEP=GLANDEE(KP)*1000.+.5 148 IF(LANDE.LT.0)LANDE=GLANDEE(K)*1000.-.5 149 IF(LANDEP.LT.0)LANDEP=GLANDEE(KP)*1000.-.5 150 ENDIF 151 REF='K07'//EMQ 152 REF='K08'//EMQ 153 REF='K09'//EMQ 154 REF='K10'//EMQ 155 ASUMASUMP=ASUM+ASUMP 156 IF(ASUMASUMP.EQ.0.D0)ASUMASUMP=1.03D-10 157 GAMMAR=LOG10(ASUMASUMP) 158 C TRY NOT DIFFERENCING 159 GAMMAS=LOG10(15835.*MAX(ABS(STARK),ABS(STARKP),1.D-20)**.6666667) 160 GAMMAW=LOG10(84762.*MAX(ABS(WAALS),ABS(WAALSP),1.D-40)**.4) 161 C 162 WAVENO=ABS(ABS(E)-ABS(EP)) 163 IF(WAVENO.EQ.0.D0)WAVENO=0.001D0 164 WLVAC=1.D7/WAVENO 165 WL=MIN(WL,999999.9999D0) 166 WLVAC=MIN(WLVAC,999999.9999D0) 167 WAVENO=MIN(WAVENO,9999999.9999D0) 168 GFLOG=GALOG-LOG10(66702.D9/WLVAC**2) 169 C .LINES 170 WRITE(JT1,140)WL,GALOG,CODE,ELAB,ELABP,GAMMAR,GAMMAS,GAMMAW,REF, 171 1 NBLO,NBUP,ISO1,X1,ISO2,X2,OTHER1,OTHER2,LANDE,LANDEP,ISOSHIFT EXPANDFORBIDDEN3007 Source Listing 23-JUL-2010 01:06:01 HP Fortran V7.6-3276 Page 4 9-JAN-2010 16:29:46 KU6E:[KURUCZ.CRAY]EXPANDFORBIDDEN3007.FOR;28 172 C .META 173 IF(GAMMAR.LE.2.)THEN 174 WRITE(JT2,140)WL,GALOG,CODE,ELAB,ELABP,GAMMAR,GAMMAS,GAMMAW,REF, 175 1 NBLO,NBUP,ISO1,X1,ISO2,X2,OTHER1,OTHER2,LANDE,LANDEP,ISOSHIFT 176 ENDIF 177 C GA*.POS 178 IF(IFPRED.EQ.1)GO TO 99 179 WRITE(JT3,140)WL,GALOG,CODE,ELAB,ELABP,GAMMAR,GAMMAS,GAMMAW,REF, 180 1 NBLO,NBUP,ISO1,X1,ISO2,X2,OTHER1,OTHER2,LANDE,LANDEP,ISOSHIFT 181 C GF*.POS 182 WRITE(JT5,140)WL,GFLOG,CODE,ELAB,ELABP,GAMMAR,GAMMAS,GAMMAW,REF, 183 1 NBLO,NBUP,ISO1,X1,ISO2,X2,OTHER1,OTHER2,LANDE,LANDEP,ISOSHIFT 184 C GF*.METAPOS 185 IF(GAMMAR.GT.2.)GO TO 99 186 WRITE(JT4,140)WL,GFLOG,CODE,ELAB,ELABP,GAMMAR,GAMMAS,GAMMAW,REF, 187 1 NBLO,NBUP,ISO1,X1,ISO2,X2,OTHER1,OTHER2,LANDE,LANDEP,ISOSHIFT 188 140 FORMAT(F11.4,F7.3,F6.2,2A28, 189 1 F6.2,F6.2,F6.2,A4,I2,I2,I3,F6.3,I3,F6.3,2A10,2I5,I6) 190 99 CONTINUE 191 100 CLOSE(UNIT=IT) 192 CLOSE(UNIT=JT1) 193 CLOSE(UNIT=JT2) 194 CLOSE(UNIT=JT3) 195 CLOSE(UNIT=JT4) 196 CLOSE(UNIT=JT5) 197 999 CONTINUE 198 CALL EXIT 199 END EXPANDFORBIDDEN3007 Source Listing 23-JUL-2010 01:06:01 HP Fortran V7.6-3276 Page 5 9-JAN-2010 16:29:46 KU6E:[KURUCZ.CRAY]EXPANDFORBIDDEN3007.FOR;28 PROGRAM SECTIONS Name Bytes Attributes 1 $BSS$ 4520336 NOPIC CON REL LCL NOSHR NOEXE RD WRT *64 2 $DATA$ 956 NOPIC CON REL LCL NOSHR NOEXE RD WRT OCTA 3 $CODE$ 9468 PIC CON REL LCL SHR EXE NORD NOWRT OCTA 4 $LINK$ 764 NOPIC CON REL LCL NOSHR NOEXE RD NOWRT OCTA Total Space Allocated 4531524 ENTRY POINTS Address Name 3-00000000 EXPANDFORBIDDEN3007 VARIABLES Address Type Name Address Type Name Address Type Name Address Type Name ** R*8 ASUM ** R*8 GAMMAW ** I*4 JT4 1-001D4C40 CHAR PARITY ** R*8 ASUMASUMP ** R*8 GFLOG ** I*4 JT5 1-001D4C48 CHAR REF ** R*8 ASUMP 1-001D4C74 I*4 ICHARGE 0-00000038 I*4 K ** R*8 STARK ** R*8 CODE 1-001D4C78 I*4 ICODE 1-001D4C54 I*4 KP ** R*8 STARKP ** R*8 E 1-001D4C80 I*4 IEION ** I*4 LANDE 1-0044F940 CHAR STRING80 1-001D4C20 R*8 EION 1-001D4C50 I*4 IFPRED ** I*4 LANDEP ** R*8 WAALS 1-001D4CD8 CHAR ELAB 1-001D4C58 I*4 ILINE 1-001D4C6C I*4 NBLO ** R*8 WAALSP 1-001D4CB8 CHAR ELABP 1-001D4C7C I*4 ISKIP 1-001D4C68 I*4 NBUP ** R*8 WAVENO 1-001D4C28 R*8 ELEM 1-001D4C64 I*4 ISO1 1-001D4C84 I*4 NE 1-001D4C08 R*8 WL 1-001D4C30 CHAR EMQ 1-001D4C60 I*4 ISO2 1-001D4C70 I*4 NELION ** R*8 WLVAC ** R*8 EP 1-001D4C5C I*4 ISOSHIFT 1-001D4C8C I*4 NLINES 1-001D4C18 R*8 X1 1-001D4C38 CHAR EVENODD ** I*4 IT 1-001D4C90 I*4 NO 1-001D4C10 R*8 X2 1-001D4C00 R*8 GALOG ** I*4 JT1 1-001D4C88 I*4 NPOS ** R*8 GAMMAR ** I*4 JT2 1-001D4CA8 CHAR OTHER1 ** R*8 GAMMAS ** I*4 JT3 1-001D4C98 CHAR OTHER2 ARRAYS Address Type Name Bytes Dimensions 1-0004E200 R*8 ASUME 160000 (20000) 1-00138800 R*8 ASUMO 160000 (20000) 1-000C3500 R*8 EJE 160000 (20000) 1-001ADB00 R*8 EJO 160000 (20000) 1-00365340 CHAR ELABE 560000 (20000) 1-0041EC00 CHAR ELABJE 200000 (20000) 1-003EDEC0 CHAR ELABJO 200000 (20000) 1-002DC7C0 CHAR ELABO 560000 (20000) 1-002CDD60 CHAR EVEODD 60000 (20000) 1-00298200 R*8 EXTRAJE 160000 (20000) 1-00271100 R*8 EXTRAJO 160000 (20000) EXPANDFORBIDDEN3007 Source Listing 23-JUL-2010 01:06:01 HP Fortran V7.6-3276 Page 6 9-JAN-2010 16:29:46 KU6E:[KURUCZ.CRAY]EXPANDFORBIDDEN3007.FOR;28 1-00222F00 R*8 FSUME 160000 (20000) 1-001D4D00 R*8 FSUMO 160000 (20000) 1-00075300 R*8 GLANDEE 160000 (20000) 1-0015F900 R*8 GLANDEO 160000 (20000) 1-0024A000 R*8 LJE 160000 (20000) 1-001FBE00 R*8 LJO 160000 (20000) 1-002BF300 CHAR ODDEVE 60000 (20000) 1-00000000 R*8 STARKE 160000 (20000) 1-000EA600 R*8 STARKO 160000 (20000) 1-00027100 R*8 WAALSE 160000 (20000) 1-00111700 R*8 WAALSO 160000 (20000) 1-0009C400 R*8 XJE 160000 (20000) 1-00186A00 R*8 XJO 160000 (20000) LABELS Address Label Address Label Address Label Address Label Address Label ** 3 ** 9 ** 333 ** 339 ** 999 ** 4 3-00002310 99 ** 334 ** 987 ** 8 ** 100 ** 338 3-000003A4 988 EXPANDFORBIDDEN3007 Source Listing 23-JUL-2010 01:06:01 HP Fortran V7.6-3276 Page 7 9-JAN-2010 16:29:46 KU6E:[KURUCZ.CRAY]EXPANDFORBIDDEN3007.FOR;28 COMMAND QUALIFIERS /ALIGNMENT=(COMMONS=(NONATURAL,PACKED,NOSTANDARD,NOMULTILANGUAGE),RECORDS=NATURAL,NOSEQUENCE) /ANNOTATIONS=(NOCODE,NODETAIL,NOFEEDBACK,NOINLINING,NOLOOP_TRANSFORMS,NOLOOP_UNROLLING,NOPREFETCHING,NOSHRINKWRAPPING, NOSOFTWARE_PIPELINING,NOTAIL_CALLS,NOTAIL_RECURSION) /ARCHITECTURE=GENERIC /ASSUME=(ACCURACY_SENSITIVE,ALTPARAM,NOBUFFERED_IO,NOBYTERECL,NODUMMY_ALIASES,NOF77RTL,NOFP_CONSTANT,NOINT_CONSTANT, NOMINUS0,PROTECT_CONSTANTS,NOSOURCE_INCLUDE,NOUNDERSCORE) /NOAUTOMATIC /NOBY_REF_CALL /CCDEFAULT=DEFAULT /CHECK=(NOARG_TEMP_CREATED,NOBOUNDS,FORMAT,NOFP_EXCEPTIONS,OUTPUT_CONVERSION,NOOVERFLOW,POWER,NOUNDERFLOW) /CONVERT=NATIVE /DEBUG=(NOSYMBOLS,TRACEBACK) /NODEFINE /DOUBLE_SIZE=64 /NOD_LINES /ERROR_LIMIT=30 /NOEXTEND_SOURCE /F77 /NOFAST /FLOAT=G_FLOAT /GRANULARITY=QUADWORD /IEEE_MODE=FAST /INTEGER_SIZE=32 /NOMACHINE_CODE /MATH_LIBRARY=ACCURATE /NOMODULE /NAMES=UPPERCASE /OPTIMIZE=(INLINE=SPEED,LEVEL=4,NOLOOPS,PIPELINE,TUNE=GENERIC,UNROLL=0) /NOPAD_SOURCE /REAL_SIZE=32 /NORECURSIVE /REENTRANCY=NONE /ROUNDING_MODE=NEAREST /NOSEPARATE_COMPILATION /SEVERITY=(WARNING=WARNING) /SHOW=(NOINCLUDE,MAP) /SOURCE_FORM=FIXED /STANDARD=NONE /NOSYNCHRONOUS_EXCEPTIONS /NOSYNTAX_ONLY /NOTIE /VMS /WARNINGS=(ALIGNMENT,NOARGUMENT_CHECKING,NODECLARATIONS,GENERAL,GRANULARITY,NOIGNORE_LOC,NOTRUNCATED_SOURCE,UNCALLED, UNINITIALIZED,NOUNUSED,USAGE) /NOANALYSIS_DATA /NODIAGNOSTICS /INCLUDE=FORT$INCLUDE: /LIST=KU6E:[KURUCZ.CRAY]EXPANDFORBIDDEN3007.LIS;4 /OBJECT=KU6E:[KURUCZ.CRAY]EXPANDFORBIDDEN3007.OBJ;4 /NOLIBRARY COMPILER: HP Fortran V7.6-3276-48D52 EXPANDFORBIDDEN3007 Source Listing 23-JUL-2010 01:06:01 HP Fortran V7.6-3276 Page 8 9-JAN-2010 16:29:46 KU6E:[KURUCZ.CRAY]EXPANDFORBIDDEN3007.FOR;28 COMPILATION STATISTICS CPU time: 0.62 seconds Elapsed time: 0.82 seconds Pagefaults: 2144 I/O Count: 14 $LINK EXPANDFORBIDDEN3007 $! $ASSIGN POOLQ:GAM2502E.LIN FOR001 $ASSIGN POOLQ:GAM2502O.LIN FOR002 $ASSIGN POOLQ:GAQ2502E.LIN FOR003 $ASSIGN POOLQ:GAQ2502O.LIN FOR004 $ASSIGN 2502:GAMMASUM2502.GAM FOR008 $ASSIGN k1b:GAM2502E.LINES FOR011 $ASSIGN 2502:GAM2502E.META FOR012 $ASSIGN 2502:GAM2502E.POS FOR013 $ASSIGN 2502:GFM2502E.METAPOS FOR014 $ASSIGN k1b:GAM2502O.LINES FOR021 $ASSIGN 2502:GAM2502O.META FOR022 $ASSIGN 2502:GAM2502O.POS FOR023 $ASSIGN 2502:GFM2502O.METAPOS FOR024 $ASSIGN k1b:GAQ2502E.LINES FOR031 $ASSIGN 2502:GAQ2502E.META FOR032 $ASSIGN 2502:GAQ2502E.POS FOR033 $ASSIGN 2502:GFQ2502E.METAPOS FOR034 $ASSIGN k1b:GAQ2502O.LINES FOR041 $ASSIGN 2502:GAQ2502O.META FOR042 $ASSIGN 2502:GAQ2502O.POS FOR043 $ASSIGN 2502:GFQ2502O.METAPOS FOR044 $RUN CRAY:EXPANDFORBIDDEN3007 25.02 10525088 lines saved 17294 positive lines saved 13706 even 15890 odd levels 271550 ion pot cm-1 eve Meve Mevepos Modd Moddpos Qeve Qevepos Qodd Qoddpos 3900086 8371 5252780 8573 14631741 12898 19094938 13143 1 d5 2 d4 4d 3 d4 5d 4 d4 6d 5 d4 7d 6 d4 8d 7 d4 9d 8 d4 10d 9 d3 4s4d A d3 4s5d B d3 4s6d C d3 4s7d D d3 4s8d E d3 4s9d F d3 4s10d G d24s2 4d H d2s2 5d I d2s2 6d J d2s2 7d K d2s2 8d L d2s2 9d M d2s2 10d N d4 4s O d4 5s P d4 6s Q d4 7s R d4 8s S d4 9s T d4 10s U d3 4s2 V d3 4s5s W d3 4s6s X d3 4s7s Y d3 4s8s Z d3 4s9s a d3 4s10s b d2s2 5s c d2s2 6s d d2s2 7s e d2s2 8s f d2s2 9s g d2s2 10s h d4 5g i d4 6g j d4 7g k d4 8g l d4 9g m d4 10g n d3 4s5g o d3 4s6g p d3 4s7g q d3 4s8g r d3 4s9g s d3 4s10g t d4 7i u d4 8i v d4 9i w d3 4s7i x d3 4s8i y d3 4s9i z d3 4p2 1 d4 4p 2 d4 5p 3 d4 6p 4 d4 7p 5 d4 8p 6 d4 9p 7 d4 10p 8 d4 11p 9 d3 4s4p A d3 4s5p B d3 4s6p C d3 4s7p D d3 4s8p E d3 4s9p F d3 4s10p G d3 4s11p H d2s2 4p I d2s2 5p J d2s2 6p K d2s2 7p L d2s2 8p M d2s2 9p N d2s2 10p O d2s2 11p P d4 4f Q d4 5f R d4 6f S d4 7f T d4 8f U d4 9f V d4 10f W d4 11f X d3 4s4f Y d3 4s5f Z d3 4s6f a d3 4s7f b d3 4s8f c d3 4s9f d d3 4s10f e d3 4s11f f d2s2 4f g d2s2 5f h d2s2 6f i d2s2 7f j d2s2 8f k d2s2 9f l d2s2 10f m d2s2 11f n d4 6h o d4 7h p d4 8h q d4 9h r d4 10h s d3 4s6h t d3 4s7h u d3 4s8h v d3 4s9h w d4 8k x d4 9k y d3 4s8k z d3 4s9k level type: EVE or ODD + even or odd observed level level type: ERz or ORz even or odd extrapolated Ritz level level type: EPo or OPo even or odd extrapolated polarization level level type: EVE or ODD - even or odd least squares predicted level ELEM index(J) E(cm-1) J label g Lande' sum A C4 C6 sum f KURUCZ job terminated at 23-JUL-2010 02:07:09.36 Accounting information: Buffered I/O count: 23959 Peak working set size: 23504 Direct I/O count: 587969 Peak virtual size: 204544 Page faults: 4736 Mounted volumes: 0 Charged CPU time: 0 00:31:20.52 Elapsed time: 0 01:01:07.94