parvals

一套应用很广的光谱程序

   -0.5732   -0.1222   -0.4043    0.3094    0.0548    0.3268    0.0625
    0.0000    3.5662    2.2117    1.6519   -0.4381   -0.5038   -0.3233
   -0.3653   -0.4379    0.0175   -0.3676    0.0202   -0.4656   -0.3681
   -0.3493   -0.2697    0.0176    0.0062   -0.1211    0.0073    0.0000
    0.8427    0.1595    0.2346    0.0000    0.1974    0.0011    0.0008
 Parameter values,  cycle number 24,  avdev=   0.200
    8.9240    9.4155  176.5434   44.0896   -0.1606    9.9277    1.7347
   11.5878    2.0656    2.1950  222.4141   44.7157   -0.1750    9.7075
    0.5692    3.9956    0.7027    1.0045  187.8347   43.4628   -0.1556
    9.1131    0.1443   32.7855   23.7269   19.6136  224.0340   44.3162
   -0.1750    9.4877    0.0307    5.6618    3.9318    2.8683  241.3627
   44.5862   -0.1750    9.6279    0.0224    4.1922    2.1126    1.6176
  242.8836   44.7469   -0.1750    9.7197    0.2983    1.9591    0.3405
    0.4979  253.9780   44.7609   -0.1750    9.7252    0.1758    1.1105
    0.1926    0.2850  252.3536   44.7808   -0.1750    9.7330    0.0001
    0.5556    0.0015    0.0011  259.6380   44.7807   -0.1750    9.7330
    0.0000    0.3499    0.0019    0.0014    2.0534    9.9517    1.1182
    5.1383  -56.5247  -28.3014  -15.7734    0.7433    3.3199    0.5443
    2.3906    0.0000    2.9036    0.7281    1.0082    0.2203   -1.8876
   -3.0313   -1.4537   -2.5788   -1.0048    0.0000    1.8421    0.5038
    0.7017    0.0000    1.3233    0.3773    0.5268   -0.1790   -0.9166
   -0.5932   -0.7695   -1.1533   -0.5521    0.0000    1.4912    0.3042
    0.4393    0.0000    1.0605    0.2284    0.3315    0.0000    8.3785
    7.2047    5.0914    0.0000    4.5880    4.0052    2.8929   -0.1532
   -0.5726   -0.1221   -0.4038    0.3090    0.0547    0.3264    0.0624
    0.0000    3.5624    2.2094    1.6502   -0.4376   -0.5032   -0.3230
   -0.3649   -0.4374    0.0175   -0.3672    0.0202   -0.4651   -0.3677
   -0.3489   -0.2694    0.0176    0.0062   -0.1209    0.0073    0.0000
    0.8418    0.1593    0.2344    0.0000    0.1972    0.0011    0.0008
 Parameter values,  cycle number 25,  avdev=   0.200
    8.9251    9.4156  176.5435   44.0896   -0.1605    9.9279    1.7344
   11.5864    2.0654    2.1966  222.4141   44.7157   -0.1750    9.7075
    0.5692    3.9956    0.7027    1.0045  187.8344   43.4606   -0.1554
    9.1132    0.1442   32.7887   23.7243   19.6067  224.0342   44.3162
   -0.1750    9.4877    0.0307    5.6619    3.9322    2.8687  241.3641
   44.5862   -0.1750    9.6279    0.0224    4.1922    2.1126    1.6176
  242.8836   44.7469   -0.1750    9.7197    0.2983    1.9591    0.3405
    0.4979  253.9780   44.7609   -0.1750    9.7252    0.1758    1.1105
    0.1926    0.2850  252.3536   44.7808   -0.1750    9.7330    0.0001
    0.5556    0.0015    0.0011  259.6380   44.7807   -0.1750    9.7330
    0.0000    0.3499    0.0019    0.0014    2.0537    9.9529    1.1183
    5.1389  -56.5315  -28.3048  -15.7753    0.7434    3.3203    0.5444
    2.3909    0.0000    2.9019    0.7276    1.0076    0.2202   -1.8864
   -3.0295   -1.4529   -2.5773   -1.0042    0.0000    1.8410    0.5035
    0.7013    0.0000    1.3225    0.3771    0.5265   -0.1789   -0.9160
   -0.5928   -0.7691   -1.1526   -0.5518    0.0000    1.4903    0.3040
    0.4391    0.0000    1.0599    0.2283    0.3313    0.0000    8.3735
    7.2004    5.0884    0.0000    4.5853    4.0028    2.8912   -0.1532
   -0.5722   -0.1220   -0.4036    0.3089    0.0547    0.3262    0.0624
    0.0000    3.5603    2.2081    1.6492   -0.4374   -0.5029   -0.3228
   -0.3647   -0.4371    0.0175   -0.3670    0.0202   -0.4648   -0.3675
   -0.3487   -0.2692    0.0176    0.0062   -0.1209    0.0073    0.0000
    0.8413    0.1593    0.2342    0.0000    0.1971    0.0011    0.0008
 Parameter values for rcg input
CsIII 5p5               8.9251   9.4156 
CsIII 5p4 6p          176.5435  44.0896   -0.1605    9.9279    1.7344 ls99999999
  11.5864    2.0654    2.1966 
CsIII 5p4 7p          222.4141  44.7157   -0.1750    9.7075    0.5692 ls99999999
   3.9956    0.7027    1.0045 
CsIII 5p4 4f          187.8344  43.4606   -0.1554    9.1132    0.1442 ls99999999
  32.7887   23.7243   19.6067 
CsIII 5p4 5f          224.0342  44.3162   -0.1750    9.4877    0.0307 ls99999999
   5.6619    3.9322    2.8687 
CsIII 5p4 6f          241.3641  44.5862   -0.1750    9.6279    0.0224 ls99999999
   4.1922    2.1126    1.6176 
CsIII 5p4 8p          242.8836  44.7469   -0.1750    9.7197    0.2983 ls99999999
   1.9591    0.3405    0.4979 
CsIII 5p4 9p          253.9780  44.7609   -0.1750    9.7252    0.1758 ls99999999
   1.1105    0.1926    0.2850 
CsIII 5p4 6h          252.3536  44.7808   -0.1750    9.7330    0.0001 ls99999999
   0.5556    0.0015    0.0011 
CsIII 5p4 7h          259.6380  44.7807   -0.1750    9.7330    0.0000 ls99999999
   0.3499    0.0019    0.0014 
5p5     -5p4 6p        2.0537    9.9529 
5p5     -5p4 7p        1.1183    5.1389 
5p5     -5p4 4f      -56.5315 
5p5     -5p4 5f      -28.3048 
5p5     -5p4 6f      -15.7753 
5p5     -5p4 8p        0.7434    3.3203 
5p5     -5p4 9p        0.5444    2.3909 
5p4 6p  -5p4 7p        0.0000    2.9019    0.7276    1.0076 
5p4 6p  -5p4 4f        0.2202   -1.8864 
5p4 6p  -5p4 5f       -3.0295   -1.4529 
5p4 6p  -5p4 6f       -2.5773   -1.0042 
5p4 6p  -5p4 8p        0.0000    1.8410    0.5035    0.7013 
5p4 6p  -5p4 9p        0.0000    1.3225    0.3771    0.5265 
5p4 7p  -5p4 4f       -0.1789   -0.9160 
5p4 7p  -5p4 5f       -0.5928   -0.7691 
5p4 7p  -5p4 6f       -1.1526   -0.5518 
5p4 7p  -5p4 8p        0.0000    1.4903    0.3040    0.4391 
5p4 7p  -5p4 9p        0.0000    1.0599    0.2283    0.3313 
5p4 4f  -5p4 5f        0.0000    8.3735    7.2004    5.0884 
5p4 4f  -5p4 6f        0.0000    4.5853    4.0028    2.8912 
5p4 4f  -5p4 8p       -0.1532   -0.5722 
5p4 4f  -5p4 9p       -0.1220   -0.4036 
5p4 4f  -5p4 6h        0.3089    0.0547 
5p4 4f  -5p4 7h        0.3262    0.0624 
5p4 5f  -5p4 6f        0.0000    3.5603    2.2081    1.6492 
5p4 5f  -5p4 8p       -0.4374   -0.5029 
5p4 5f  -5p4 9p       -0.3228   -0.3647 
5p4 5f  -5p4 6h       -0.4371    0.0175 
5p4 5f  -5p4 7h       -0.3670    0.0202 
5p4 6f  -5p4 8p       -0.4648   -0.3675 
5p4 6f  -5p4 9p       -0.3487   -0.2692 
5p4 6f  -5p4 6h        0.0176    0.0062 
5p4 6f  -5p4 7h       -0.1209    0.0073 
5p4 8p  -5p4 9p        0.0000    0.8413    0.1593    0.2342 
5p4 6h  -5p4 7h        0.0000    0.1971    0.0011    0.0008 

CsIII     5s 5p6    5p4 5d    5p4 6d    5p4 6s    5p4 7s    5p4 8s    
5p4 9s    5p4 5g    5p4 6g    5p4 7g    5p4 7d    5p4 8d    5p412d    
5p4.1d    
 Parameter values,  cycle number  0,  avdev=   0.775
  141.3852  142.8126   43.7849   -0.1750    9.2969    0.4355   29.6331
   33.1268   20.5913  212.2419   44.6383   -0.1750    9.6563    0.1132
    7.0352    5.2187    3.5185  149.5542   44.3018   -0.1750    9.5627
    3.9815  211.6871   44.6497   -0.1750    9.6792    1.1529  237.4115
   44.7219   -0.1750    9.7078    0.5214  250.8160   44.7487   -0.1750
    9.7191    0.2837  239.8498   44.7768   -0.1750    9.7320    0.0003
    1.7777    0.0845    0.0595  252.0726   44.7770   -0.1750    9.7321
    0.0001    1.0340    0.0826    0.0583  259.4614   44.7779   -0.1750
    9.7323    0.0001    0.6528    0.0659    0.0465  237.9863   44.7204
   -0.1750    9.6998    0.0539    3.0733    2.1282    1.4744  251.2108
   44.7484   -0.1750    9.7151    0.0303    1.6466    1.1108    0.7801
  269.7613   44.7744   -0.1750    9.7295    0.0063    0.3196    0.2096
    0.1500  290.8300   44.7809   -0.1750    9.7331    0.0000    0.0000
    0.0000    0.0000   41.5075   16.6818   -0.7619   -0.7109   -0.5664
   -0.4531   10.5951    7.6232   11.1701   10.3315    0.0000    9.2392
   12.6138    8.1296   -9.5682   -3.6198   -4.5814   -2.1686   -2.9924
   -1.5134   -2.1797   -1.1373    2.6541    1.1189    2.5404    1.1269
    2.2279    1.0167    0.0000    5.4362    7.8585    5.0967    0.0000
    3.7646    5.5979    3.6376    0.0000    5.2306    8.0868    5.2619
    0.0000    4.5536    7.3581    4.7850    1.7614   -0.3248   -2.1529
   -0.3686   -1.3341   -0.2962   -0.9755   -0.2366   -1.4720    0.3537
   -0.8143    0.3621   -0.4878    0.3299    0.0000    3.8885    3.3223
    2.2679    0.0000    2.6673    2.3912    1.6410    0.0000    3.6887
    3.5022    2.4184    0.0000    3.2137    3.2336    2.2450    0.0000
    2.0820    0.0000    1.3722    0.0000    1.0002    1.8629    0.0119
    1.5798    0.0867    2.7618    0.2840    2.9762    0.4230    0.0000
    0.7731    0.0000    0.5682   -0.1502   -0.1244    0.1795   -0.0492
    0.7455    0.0103    1.1106    0.0955    0.0000    0.3844   -0.8475
   -0.1174   -0.2519   -0.0583    0.1015   -0.0316    0.4706    0.0274
   -0.5953   -0.0994   -0.4192   -0.0526   -0.1297   -0.0380    0.2088
    0.0061    0.0000    1.0334    0.0835    0.0589    0.0000    0.7313
    0.0745    0.0525   -0.2366    0.2048   -0.1600    0.1401   -0.2043
    0.1906   -0.1672    0.1610    0.0000    0.7281    0.0738    0.0521
   -0.5770    0.2108   -0.1747    0.1446   -0.2224    0.1975   -0.1775
    0.1677   -0.4647    0.1926   -0.2825    0.1324   -0.2130    0.1813
   -0.1659    0.1543    0.0000    2.0521    1.5365    1.0714    0.0000
    2.8201    2.2597    1.5882    0.0000    2.4566    2.0958    1.4840
    0.0000    2.2209    1.6371    1.1599    0.0000    1.9343    1.5217
    1.0873    0.0000    3.1931    2.2555    1.6300
 Parameter values,  cycle number  1,  avdev=   0.367
  136.3857  142.4801   44.0355   -0.1750    9.3817    0.4561   30.1091
   31.4174   20.5069  212.3039   44.6423   -0.1750    9.8202    0.1369
    6.9331    4.9000    3.3548  149.1818   46.5719   -0.2674    9.6375
    4.2582  211.6953   44.6042   -0.1750    9.8708    1.1752  237.4784
   44.7219   -0.1750    9.7078    0.5214  250.4266   44.7487   -0.1750
    9.7191    0.2837  240.1960   44.7768   -0.1750    9.7320    0.0003
    2.4516    0.0845    0.0595  252.2978   44.7770   -0.1750    9.7321
    0.0001    1.0340    0.0826    0.0583  259.4614   44.7779   -0.1750
    9.7323    0.0001    0.6528    0.0659    0.0465  238.1680   44.7204
   -0.1750    9.6998    0.0539    3.9170    2.1282    1.4744  251.2108
   44.7484   -0.1750    9.7151    0.0303    1.6466    1.1108    0.7801
  269.7613   44.7744   -0.1750    9.7295    0.0063    0.3196    0.2096
    0.1500  290.8300   44.7809   -0.1750    9.7331    0.0000    0.0000
    0.0000    0.0000   38.3216   15.4014   -0.7743   -0.7225   -0.5756
   -0.4605    9.7819    7.0381   10.3127    9.5385    0.0000    8.5300
   11.6456    7.5056   -9.7239   -3.6787   -4.6560   -2.2039   -3.0411
   -1.5380   -2.2152   -1.1558    2.6973    1.1371    2.5818    1.1452
    2.2642    1.0332    0.0000    5.0189    7.2553    4.7055    0.0000
    3.4756    5.1682    3.3584    0.0000    4.8291    7.4661    4.8580
    0.0000    4.2041    6.7933    4.4177    1.7901   -0.3301   -2.1879
   -0.3746   -1.3558   -0.3010   -0.9914   -0.2405   -1.4960    0.3595
   -0.8276    0.3680   -0.4957    0.3353    0.0000    3.5900    3.0673
    2.0938    0.0000    2.4626    2.2077    1.5150    0.0000    3.4056
    3.2334    2.2328    0.0000    2.9670    2.9854    2.0727    0.0000
    2.1159    0.0000    1.3945    0.0000    1.0165    1.8932    0.0121
    1.6055    0.0881    2.8068    0.2886    3.0246    0.4299    0.0000
    0.7857    0.0000    0.5774   -0.1526   -0.1264    0.1824   -0.0500
    0.7576    0.0105    1.1287    0.0971    0.0000    0.3907   -0.8613
   -0.1193   -0.2560   -0.0592    0.1032   -0.0321    0.4783    0.0278
   -0.6050   -0.1010   -0.4260   -0.0535   -0.1318   -0.0386    0.2122
    0.0062    0.0000    1.0502    0.0849    0.0599    0.0000    0.7432
    0.0757    0.0534   -0.2405    0.2081   -0.1626    0.1424   -0.2076
    0.1937   -0.1699    0.1636    0.0000    0.7400    0.0750    0.0529
   -0.5864    0.2142   -0.1775    0.1470   -0.2260    0.2007   -0.1804
    0.1704   -0.4723    0.1957   -0.2871    0.1346   -0.2165    0.1843
   -0.1686    0.1568    0.0000    1.8946    1.4186    0.9892    0.0000
    2.6036    2.0863    1.4663    0.0000    2.2680    1.9349    1.3701
    0.0000    2.0504    1.5114    1.0709    0.0000    1.7858    1.4049