c block data udssr ! 118-level version dimension ao31(231),ao38(165),bo31(198),bo37(198), * index21(198),index27(198), * uwe11(234),uwe12(156),uwe13(78), * uwe21(234),uwe22(195),uwe23(39), * uwe31(273),uwe32(195) common /ncirpar/indexx(11),atomo(23),dkute(23), * acox(39,12),bcox(39,12),ccox(39,12), * mina2(33),maxa2(33),minax(39), * index2(33,12),xlnp(72), * ao3(33,12),bo3(33,12) equivalence(ao3(1,1),ao31(1)),(ao3(1,8),ao38(1)), * (bo3(1,1),bo31(1)),(bo3(1,7),bo37(1)), * (index2(1,1),index21(1)),(index2(1,7),index27(1)), *(acox(1,1),uwe11(1)),(acox(1,7),uwe12(1)),(acox(1,11),uwe13(1)), *(bcox(1,1),uwe21(1)),(bcox(1,7),uwe22(1)),(bcox(1,12),uwe23(1)), *(ccox(1,1),uwe31(1)),(ccox(1,8),uwe32(1)) c c data minax /4*4,8*3,27*2/ data indexx /-19,-11,-7,-5,-3,-1,0,1,3,7,15/ data atomo/ * 0.0009235,0.0009235,0.0009235,0.0009235,0.0011947, * 0.0020891,0.0036750,0.0059679,0.0090614,0.0137773, * 0.0203786,0.0264420,0.0337445,0.0427767,0.0515556, * 0.0613410,0.0728281,0.0817772,0.0910748,0.1012253, * 0.1112118,0.1220746,0.1331152/ data dkute/0.0391,0.0482,0.0596,0.0746,0.0936,0.115, * 0.143 ,0.183 ,0.222 ,0.262 ,0.304 ,0.423, * 0.542 ,0.550 ,0.687 ,0.845 ,0.979 ,0.990, * 1.16 ,1.7 ,1.25 ,1.4 ,2.05/ c******************** tabelle a1********************************** data uwe11/40.,60.,100.,130.,34.,45.,70.,82.,100.,140.,130. & ,220.,30.,30.,35.,35.,40.,45.,7*50.,2*40.,5*30.,2*20.,19., & 17.,2*16.,15.,12*0.,2*200.,270.,280.,350.,370.,2*400.,360., & 320.,2*310.,2*290.,330.,380.,420.,510.,600.,710.,850.,1020., & 1159.,1256.,1409.,1648.,1871.,4*0.,150.,200.,270.,340.,420., & 500.,600.,670.,780.,790.,890.,820.,760.,820.,880.,970.,980., & 1040.,1090.,1170.,1260.,1380.,1520.,1680.,1860.,2060.,2270., & 2490.,2720.,2960.,3049.,2993.,3054.,3264.,3403., & 90.,150.,270.,300.,390.,490.,570.,700.,810.,970.,1060.,1090., & 1230.,1260.,1300.,1500.,1520.,1550.,1590.,1660.,1770.,1900., & 2040.,2180.,2310.,2450.,2580.,2700.,2780.,2850.,2910.,2990., & 3140.,3330.,3657.,3793.,4050.,4505.,4851., & 360.,490.,700.,770.,920.,1090.,1240.,1380.,1530.,1690.,1780., & 1840.,1850.,1870.,1780.,1870.,1980.,2140.,2350.,2590.,2860., & 3090.,3270.,3400.,3510.,3580.,3620.,3610.,3640.,3740.,3900., & 4210.,4890.,5930.,6773.,7061.,7549.,8360.,9040., & 2040.,2440.,2830.,3190.,3510.,3810.,4090.,4310.,4540.,4700., & 4980.,4960.,4150.,4340.,4590.,4950.,5400.,5920.,6450.,6880., & 7210.,7450.,7610.,7660.,2*7680.,7790.,8190.,8780.,9430.,105 & 00.,12220.,14110.,16150.,17432.,18344.,20574.,24496.,28960./ data uwe12/-950.,-1160.,-1420.,-1680.,-1950.,-2230.,-2490., & -2740.,-3210.,-3260.,14260.,15300.,16630.,18120.,19640.,21080., & 22320.,23340.,24250.,24830.,25140.,25230.,25550.,26350., & 27560.,29060.,33120.,37250.,40410.,42020.,47170.,55490.,66290. & ,81520.,96102.,108644.,128312.,156912.,188003., & -5600.,-6620.,-7590.,-8680.,-9490.,-10380.,-11400.,-12650., & -13110.,-13240.,-45530.,-48940.,-51450.,-55240.,-58940., & -62680.,-66230.,-69690.,-73090.,-75720.,-77680.,-79070., & -80830.,-83430.,-86960.,-91640.,-101170.,-110580.,-118020., & -125260.,-138430.,-160970.,-190450.,-230750.,-267976., & -298850.,-347328.,-421040.,-502040., & -930.,-1210.,-1510.,-1820.,-2110.,-2380.,-2650.,-2930.,-3100 & .,-3270.,10870.,11940.,13240.,14570.,15750.,16710.,17390., & 18020.,18660.,18930.,19040.,19140.,19620.,20730.,22210.,24680 & .,29420.,32780.,34640.,37260.,41370.,49920.,61570.,77720., & 93147.,105900.,124691.,152424.,181897., & 1840.,2060.,2270.,2430.,2560.,2720.,2800.,2940.,3010.,2230., & 2400.,2480.,2610.,2780.,2990.,3220.,3410.,3570.,3690.,3760., & 3830.,3770.,3760.,3780.,4100.,4280.,4410.,5080.,5710.,6670., & 7560.,8840.,10380.,12430.,14411.,16271.,19140.,23536.,28459./ data uwe13/400.,460.,530.,590.,640.,620.,690.,700.,350.,380., & 410.,420.,440.,460.,480.,510.,550.,590.,630.,660.,690.,720., & 730.,750.,770.,810.,860.,950.,1080.,1240.,1440.,1710.,2070., & 2570.,3078.,3560.,4317.,5488.,6845., & 110.,80.,110.,90.,86.,-16.,9.,.5,27.,29.,2*30.,2*40.,50., & 2*60.,70.,80.,90.,100.,110.,2*120.,130.,140.,150.,170.,190., & 220.,260.,320.,400.,500.,617.,714.,859.,1080.,1324./ c******************** tabelle a2********************************** data uwe21/6.,9.,15.,24.,4.,7.,10.,15.,21.,30.,43.,70.,2*7.,3*10., & 12.,7*15.,3*13.,5*10.,9.,5*0., & 12*0.,2*50.,2*70.,3*80.,5*70.,5*60.,70.,80.,100.,118.,153.,204., & 266.,364.,500.,673., & 4*0.,31.,42.,56.,70.,86.,100.,180.,200.,7*220.,5*230.,2*240., & 260.,300.,370.,480.,650.,910.,1294.,1737.,2380.,3025.,3843., & 4933.,6000., & 16.,28.,45.,63.,82.,100.,120.,140.,160.,180.,310.,290.,310.,270., & 300.,320.,340.,330.,310.,3*300.,310.,330.,380.,450.,570.,770., & 1060.,1500.,2120.,2970.,3989.,4842.,5754.,6110.,6272.,6129., & 5764., & 70.,100.,130.,160.,190.,210.,240.,260.,280.,310.,470.,460.,430., & 410.,350.,330.,320.,310.,2*300.,310.,330.,370.,450.,570.,750., & 1020.,1400.,1920.,2560.,3310.,4070.,4626.,4599.,4352.,3618., & 2898.,2093.,1440., & 420.,500.,580.,640.,690.,740.,780.,810.,2*830.,1290.,1220.,890., & 860.,830.,800.,770.,2*760.,800.,870.,1010.,1230.,1560.,2030., & 2660.,3450.,4370.,5340.,6250.,6970.,7390.,7281.,6381.,5508., & 4378.,3521.,2892.,2277./ data uwe22/-87.,-120.,-160.,-200.,-240.,-280.,-320.,-350.,-390., & -430.,2970.,2890.,2810.,2740.,2680.,2660.,2690.,2810.,3060., & 3470.,4070.,4890.,5950.,7200.,8560.,9890.,11020.,11800.,12120., & 11960.,11330.,10340.,8928.,7047.,5644.,4233.,3248.,2535.,1906., & -1040.,-1220.,-1460.,-1580.,-1730.,-1870.,-1980.,-2080.,-2160., & -2230.,-10200.,-10100.,-9860.,-9570.,-9320.,-9150.,-9120., & -9320.,-9850.,-10790.,-12270.,-14360.,-17150.,-20590.,-24580., & -28950.,-33430.,-37790.,-41840.,-45450.,-48520.,-51020.,-51891., & -48969.,-47200.,-42872.,-39963.,-37479.,-34202., & -280.,-340.,-410.,-470.,-530.,-590.,-630.,-670.,-700.,-730., & 2140.,2090.,2060.,2*2030.,2060.,2160.,2340.,2620.,3030.,3580., & 4260.,5040.,5840.,6570.,7090.,7320.,7220.,6830.,6240.,5570., & 4870.,4106.,3204.,2524.,1854.,1386.,1027.,726., & 370.,420.,450.,480.,510.,530.,550.,2*560.,410.,660.,650.,630., & 610.,590.,2*570.,580.,630.,710.,850.,1060.,1350.,1720.,2170., & 2660.,3110.,3460.,3690.,3770.,3690.,3470.,3087.,2493.,2014., & 1512.,1155.,884.,667., & 83.,93.,110.,120.,2*130.,2*140.,2*90.,150.,2*140.,130.,120., & 3*110.,120.,130.,160.,210.,280.,380.,510.,680.,880.,1080.,1250., & 1360.,1390.,1360.,1254.,1062.,901.,730.,602.,494.,395./ data uwe23/22.,16.,23.,20.,19.,1.5,4*6.,11*10.,20.,30.,40.,70., & 90.,130.,170.,210.,240.,270.,290.,284.,261.,246.,213.,182.,156., & 124./ c******************** tabelle a3********************************** data uwe31/1.,2.,4.,8.,1.5,2.7,4.7,7.7,11.,15.,27.,44.,7.,10. & ,2*12.,11*15.,3*14.,3*12.,9.,2*8.,7.,2*6., & 12*0.,4*30.,9*40.,50.,2*60.,70.,80.,100.,120.,150.,171., & 195.,213.,238.,266.,307., & 4*0.,11.,14.,19.,20.,28.,32.,69.,4*73.,60.,2*50.,60.,2*70., & 2*80.,90.,110.,120.,150.,170.,210.,250.,300.,340.,390.,378., & 374.,334.,294.,253.,189., & 4.,8.,13.,18.,23.,27.,30.,34.,37.,41.,84.,73.,80.,8*70.,80., & 90.,110.,120.,150.,180.,200.,220.,230.,220.,200.,160.,99., & 59.,15.,-7.,-6.,-12., & 16.,22.,28.,33.,37.,41.,45.,48.,50.,52.,100.,94.,83.,76.,6*60., & 70.,80.,90.,100.,110.,2*120.,110.,90.,70.,50.,30.,10.,0.,50., & -8.,-7.,-6.,0., & 59.,69.,76.,83.,88.,92.,97.,98.,99.,96.,190.,180.,7*120.,130., & 140.,150.,3*160.,150.,140.,120.,100.,80.,60.,40.,30.,18.,17., & 8.,7.,2*6., & -17.,-25.,-33.,-40.,-48.,-57.,-65.,-72.,-79.,-86.,2*210., & 2*220.,3*230.,5*240.,230.,210.,180.,150.,120.,90.,70.,50.,40., & 30.,20.,9.,2*8.,7.,6.,0./ data uwe32/ & -130.,-160.,-200.,-210.,-227.,-246.,-263.,-277.,-289.,-298., & -1330.,-1310.,-1300.,-1280.,-1270.,-1260.,2*-1270., & -1290.,-1330.,-1370.,-1410.,-1460.,-1500.,-1540.,-1570.,-1590., & -1610.,-1620.,2*-1630.,2*-1640.,-1476.,-1394.,-1246.,-1148., & -1066.,-968., & -40.,-48.,-57.,-66.,-75.,-81.,-87.,-91.,-94.,-97.,2*170., & 2*180.,3*190.,2*180.,160.,150.,130.,110.,90.,70.,50.,40,30., & 2*20.,3*10.,6*0., & 42.,47.,51.,54.,57.,61.,63.,67.,69.,54.,2*120.,3*130.,2*120., & 110.,110.,100.,90.,80.,70.,60.,50.,40.,30.,20.,20.,4*10., & 6*0., & 13.,14.,17.,19.,21.,22.,2*25.,23.,24.,4*50.,3*40.,3*30.,4*20., & 5*10.,10*0., & 4.,3.,3*4.,2.,4.,4.,5.,5.,3*10.,26*0./ data ao31/ *14*0.,.04,17*.035,.03, *6*0.,.08,.07,.06,.055,.05,2*.045,3*.04,8*.035,2*.04,2*.045, *.05,.06,.07,.08,.1, *0.,.225,.175,.14,.115,.095,.08,.07,.065,.055,.05,.05,6*.045, *2*.05,.055,.065,.075,.09,.11,.135,.175,.23,.315,.42,.545, *.68,.75, *.29,.23,.18,.145,.12,.1,.09,.08,.07,.065,4*.06,.065,.07, *.075,.085,.1,.12,.15,.185,.245,.325,.43,.55,.68,.755,.865, *.92,.95,.975,.98, *.325,.25,.205,.17,.145,.13,.12,.11,3*.105,.11,.12,.13,.15, *.175,.21,.27,.355,.455,.58,.705,.77,.875,.935,.97,.985, *.99,.99,.995,3*1., *.44,.365,.31,.275,.25,.245,.235,.24,.24,.245,.25,.275,.31, *.37,.45,.55,.66,.775,.84,.915,.965,.975,1.,.99,4*.995,5*1., *.675,.605,.555,.52,.495,.49,.49,.495,.5,.52,.555,.61,.685, *.77,.85,.92,.965,.98,.995,.99,13*1./ c data ao38/33*1., *.64,.59,.56,.535,.52,.525,.525,.53,.545,.57,.62,.695,.775, *.855,.915,.94,.975,.995,.99,13*1.,0., *.395,.37,.36,.345,.34,.34,.335,.335,.34,.365,.405,.475,.56, *.67,.78,.84,.92,.955,.99,.995,1.,.995,1.,.995,7*1.,2*0., *.31,.3,.295,.29,.285,.275,.275,.275,.285,.3,.34,.395,.49, *.595,.715,.785,.88,.94,.97,.975,.985,4*.995,4*1.,4*0., *.3,.29,.285,.28,.275,.27,.265,.27,.275,.295,.325,.39,.475, *.585,.705,.77,.87,.935,.955,.975,.985,4*.995,8*0./ c c c data bo31/ *14*0.,2.05,2.,2.,2.05,2.,2*2.05,2.,4*2.05,2.,6*2.05, *6*0.,2.45,2.3,2.25,2.15,2.1,2.1,3*2.05,3*2.1,2.15,2.2,2.3, *2.4,2.5,2.65,2.95,3.25,3.8,4.5,5.4,6.75,8.55,11.,14.5, *0.,4.35,3.65,3.2,2.85,2.6,2.45,2.35,2.3,2.25,2.2,2.25,2.3, *2.4,2.5,2.65,2.9,3.25,3.7,4.4,5.35,6.65,8.45,11.,14.5,19.5, *27.,38.5,57.,82.5,115.,160.,180., *5.2,4.4,3.7,3.25,2.95,2.7,2.6,2.55,2.55,2.6,2.7,2.9,3.2, *3.65,4.25,5.15,6.4,8.15,10.5,14.,19.,26.,38.,54.5,80.5, *115.,155.,180.,235.,275.,305.,330.,345., *5.8,4.8,4.15,3.75,3.5,3.45,3.5,3.7,4.05,4.6,5.4,6.45,8.05, *10.,13.5,18.,25.,36.5,53.5,77.5,110.,155.,175.,230.,285., *325.,345.,360.,365.,380.,395.,400.,415., *8.5,7.3,6.7,6.65,6.7,7.45,8.3,10.,12.,14.5,17.5,23.,31.5,44.5, *63.5,89.5,125.,170.,195.,250.,300.,325.,375.,370.,390.,395., *395,410.,420.,435.,435.,445.,440./ c data bo37/ *16.5,16.,16.5,17.5,19.5,23.,27.5,33.5,40.5,50.5,64.,83.5, *110.,150.,190.,235.,285.,305.,2*340.,375.,3*395.,410.,415., *2*460.,450.,475.,510.,525.,510., *33*1., *2*15.,16.,18.,21.,25.5,31.,37.5,47.,59.5,79.,105.,145.,185., *230.,250.,300.,2*340.,375.,3*395.,410.,415.,2*460.,450.,475., *510.,525.,510.,0., *5.7,5.9,6.45,7.2,8.45,10.,12.,15.,18.5,25.5,37.,54.5,80., *115.,160.,185.,240.,285.,340.,355.,2*370.,2*395.,410.,420., *2*435.,445.,440.,445.,0.,0., *3.1,3.35,3.75,4.3,5.05,5.9,7.4,9.2,12.0,17.5,26.,40.,63.5, *94.5,135.,160.,210.,265.,300.,315.,335.,350.,360.,375., *385.,400.,410.,2*435.,4*0., *2.4,2.7,3.1,3.65,4.3,5.2,6.55,8.4,11.5,16.,24.5,38.5,60.5, *91.,130.,155.,205.,260.,275.,300.,320.,340.,355.,370.,380., *8*0./ c c c data index21/ *14*0,19*1, *6*0,8*1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20, *0,5*1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21, *22,23,24,25,26,27,28, *1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22, *23,24,25,26,27,28,29,30,31,32,33, *6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25, *26,27,28,29,30,31,32,33,34,35,36,37,38, *10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28, *29,30,31,32,33,34,35,36,37,38,39,40,41,42/ c data index27/ *12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30, *31,32,33,34,35,36,37,38,39,40,41,42,43,44, *13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31, *32,33,34,35,36,37,38,39,40,41,42,43,44,45, *14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32, *33,34,35,36,37,38,39,40,41,42,43,44,45,0, *16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34, *35,36,37,38,39,40,41,42,43,44,45,45,0,0, *20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38, *39,40,41,42,43,44,4*45,4*0, *25*45,8*0/ c c data mina2/4,5*3,8*2,19*1/ data maxa2/25*12,4*11,2*10,9,8/ c c c data xlnp/0.,0.25,0.5,0.75,1.,1.25,1.5,1.75,2.,2.25,2.5,2.75, *3.,3.25,3.5,3.75,4.,4.25,4.5,4.75,5.,5.25,5.5,5.75,6.,6.25, *6.5,6.75,7.,7.25,7.5,7.75,8.,8.25,8.5,8.75,9.,9.25,9.5,9.75, *10.,10.25,10.5,10.75,11.,11.25,11.5,11.75,12.,12.25,12.5, *12.75,13.,13.25,13.5,13.75,14.,14.25,14.5,14.75,15.,15.25, *15.5,15.75,16.,16.25,16.5,16.75,17.,17.25,17.5,17.75/ c c c c end