mirror of https://github.com/abinit/abinit.git
4877 lines
466 KiB
Plaintext
4877 lines
466 KiB
Plaintext
Ga ONCVPSP-3.3.0 r_core= 1.85767 1.81388 2.62545
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31.0000 3.0000 170607 zatom,zion,pspd
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8 11 2 4 600 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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5.99000000 0.50000000 0.00000000 rchrg fchrg qchrg
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2 4 4 0 nproj
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3 1 extension_switch
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4 4 0 nprojso
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0 6.8381285944146D-01 6.5491638877687D+00
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1 0.0000000000000D+00 -4.5747253207828D-11 2.0004470302482D-11
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2 1.0000000000000D-02 -9.2902837824223D-03 2.5284231113919D-02
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3 2.0000000000000D-02 -1.8618820041652D-02 5.0583274601675D-02
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4 3.0000000000000D-02 -2.8023483973185D-02 7.5911764268569D-02
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5 4.0000000000000D-02 -3.7541398447498D-02 1.0128397778813D-01
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6 5.0000000000000D-02 -4.7208563429981D-02 1.2671366114445D-01
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7 6.0000000000000D-02 -5.7059492067526D-02 1.5221385607016D-01
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8 7.0000000000000D-02 -6.7126855610348D-02 1.7779673145536D-01
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9 8.0000000000000D-02 -7.7441139291847D-02 2.0347341968230D-01
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10 9.0000000000000D-02 -8.8030311232837D-02 2.2925385881646D-01
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11 1.0000000000000D-01 -9.8919506368606D-02 2.5514664155452D-01
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12 1.1000000000000D-01 -1.1013072731989D-01 2.8115887179607D-01
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13 1.2000000000000D-01 -1.2168256404020D-01 3.0729602966725D-01
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14 1.3000000000000D-01 -1.3358993397467D-01 3.3356184578150D-01
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15 1.4000000000000D-01 -1.4586384435830D-01 3.5995818547617D-01
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16 1.5000000000000D-01 -1.5851117816616D-01 3.8648494371289D-01
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17 1.6000000000000D-01 -1.7153450510339D-01 4.1313995127520D-01
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18 1.7000000000000D-01 -1.8493191889232D-01 4.3991889283965D-01
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19 1.8000000000000D-01 -1.9869690197434D-01 4.6681523743551D-01
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20 1.9000000000000D-01 -2.1281821860007D-01 4.9382018174517D-01
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21 2.0000000000000D-01 -2.2727983713015D-01 5.2092260663092D-01
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22 2.1000000000000D-01 -2.4206088221376D-01 5.4810904720572D-01
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23 2.2000000000000D-01 -2.5713561735173D-01 5.7536367669583D-01
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24 2.3000000000000D-01 -2.7247345818856D-01 6.0266830427116D-01
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25 2.4000000000000D-01 -2.8803901671078D-01 6.3000238694657D-01
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27 2.6000000000000D-01 -3.1968819791877D-01 6.8466515495120D-01
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28 2.7000000000000D-01 -3.3567785579104D-01 7.1194129771746D-01
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29 2.8000000000000D-01 -3.5170760426669D-01 7.3914193219579D-01
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31 3.0000000000000D-01 -3.8365279108501D-01 7.9318814822612D-01
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32 3.1000000000000D-01 -3.9944143824835D-01 8.1996460091004D-01
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33 3.2000000000000D-01 -4.1501712280849D-01 8.4652751401421D-01
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34 3.3000000000000D-01 -4.3030818431375D-01 8.7283798866717D-01
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35 3.4000000000000D-01 -4.4524021989086D-01 8.9885563688426D-01
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36 3.5000000000000D-01 -4.5973643256319D-01 9.2453873415182D-01
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37 3.6000000000000D-01 -4.7371799984588D-01 9.4984438170733D-01
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38 3.7000000000000D-01 -4.8710446077878D-01 9.7472867773017D-01
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40 3.9000000000000D-01 -5.1176446288814D-01 1.0230536753715D+00
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60 5.9000000000000D-01 -4.7581276870133D-01 1.3268269136512D+00
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61 6.0000000000000D-01 -4.5598301648896D-01 1.3305178557513D+00
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62 6.1000000000000D-01 -4.3424664773688D-01 1.3329398750163D+00
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64 6.3000000000000D-01 -3.8511012878500D-01 1.3339515201015D+00
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66 6.5000000000000D-01 -3.2859020212058D-01 1.3298443525839D+00
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69 6.8000000000000D-01 -2.3067006382586D-01 1.3141820673424D+00
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73 7.2000000000000D-01 -7.8111194082731D-02 1.2761865107857D+00
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74 7.3000000000000D-01 -3.6559505729450D-02 1.2637857548339D+00
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75 7.4000000000000D-01 6.1734572985307D-03 1.2502845066559D+00
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80 7.9000000000000D-01 2.3382346385085D-01 1.1675951239843D+00
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81 8.0000000000000D-01 2.8134139875045D-01 1.1483197025770D+00
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82 8.1000000000000D-01 3.2923539366130D-01 1.1282414092617D+00
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91 9.0000000000000D-01 7.5571583896892D-01 9.2011826369084D-01
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93 9.2000000000000D-01 8.4366367840160D-01 8.6958427814539D-01
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94 9.3000000000000D-01 8.8596187796339D-01 8.4406339234547D-01
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100 9.9000000000000D-01 1.1095391601111D+00 6.9062482787842D-01
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101 1.0000000000000D+00 1.1408976702522D+00 6.6544313659688D-01
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102 1.0100000000000D+00 1.1703600272749D+00 6.4048833991269D-01
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103 1.0200000000000D+00 1.1978640015247D+00 6.1579853586946D-01
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104 1.0300000000000D+00 1.2233551325725D+00 5.9140932737570D-01
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105 1.0400000000000D+00 1.2467869413069D+00 5.6735372343459D-01
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107 1.0600000000000D+00 1.2873275747687D+00 5.2036191041243D-01
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108 1.0700000000000D+00 1.3043846933996D+00 4.9747807712958D-01
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109 1.0800000000000D+00 1.3192792150843D+00 4.7503251266764D-01
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387 3.8600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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599 5.9800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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600 5.9900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
4
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|
1 0.0000000000000D+00 -6.0142846392325D+00
|
|
2 1.0000000000000D-02 -6.0139418947262D+00
|
|
3 2.0000000000000D-02 -6.0129138032509D+00
|
|
4 3.0000000000000D-02 -6.0112007943398D+00
|
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5 4.0000000000000D-02 -6.0088035799602D+00
|
|
6 5.0000000000000D-02 -6.0057231502888D+00
|
|
7 6.0000000000000D-02 -6.0019607694525D+00
|
|
8 7.0000000000000D-02 -5.9975179712456D+00
|
|
9 8.0000000000000D-02 -5.9923965548373D+00
|
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10 9.0000000000000D-02 -5.9865985804588D+00
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11 1.0000000000000D-01 -5.9801263650614D+00
|
|
12 1.1000000000000D-01 -5.9729824779397D+00
|
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13 1.2000000000000D-01 -5.9651697363199D+00
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14 1.3000000000000D-01 -5.9566912009159D+00
|
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15 1.4000000000000D-01 -5.9475501714598D+00
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|
16 1.5000000000000D-01 -5.9377501822177D+00
|
|
17 1.6000000000000D-01 -5.9272949975013D+00
|
|
18 1.7000000000000D-01 -5.9161886071908D+00
|
|
19 1.8000000000000D-01 -5.9044352222819D+00
|
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20 1.9000000000000D-01 -5.8920392704737D+00
|
|
21 2.0000000000000D-01 -5.8790053918107D+00
|
|
22 2.1000000000000D-01 -5.8653384343935D+00
|
|
23 2.2000000000000D-01 -5.8510434501704D+00
|
|
24 2.3000000000000D-01 -5.8361256908218D+00
|
|
25 2.4000000000000D-01 -5.8205906037451D+00
|
|
26 2.5000000000000D-01 -5.8044438281497D+00
|
|
27 2.6000000000000D-01 -5.7876911912647D+00
|
|
28 2.7000000000000D-01 -5.7703387046650D+00
|
|
29 2.8000000000000D-01 -5.7523925607155D+00
|
|
30 2.9000000000000D-01 -5.7338591291337D+00
|
|
31 3.0000000000000D-01 -5.7147449536676D+00
|
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32 3.1000000000000D-01 -5.6950567488852D+00
|
|
33 3.2000000000000D-01 -5.6748013970710D+00
|
|
34 3.3000000000000D-01 -5.6539859452219D+00
|
|
35 3.4000000000000D-01 -5.6326176021355D+00
|
|
36 3.5000000000000D-01 -5.6107037355836D+00
|
|
37 3.6000000000000D-01 -5.5882518695600D+00
|
|
38 3.7000000000000D-01 -5.5652696815966D+00
|
|
39 3.8000000000000D-01 -5.5417650001360D+00
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40 3.9000000000000D-01 -5.5177458019531D+00
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41 4.0000000000000D-01 -5.4932202096168D+00
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42 4.1000000000000D-01 -5.4681964889826D+00
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43 4.2000000000000D-01 -5.4426830467092D+00
|
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44 4.3000000000000D-01 -5.4166884277907D+00
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45 4.4000000000000D-01 -5.3902213130984D+00
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46 4.5000000000000D-01 -5.3632905169255D+00
|
|
47 4.6000000000000D-01 -5.3359049845310D+00
|
|
48 4.7000000000000D-01 -5.3080737896754D+00
|
|
49 4.8000000000000D-01 -5.2798061321484D+00
|
|
50 4.9000000000000D-01 -5.2511113352818D+00
|
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51 5.0000000000000D-01 -5.2219988434482D+00
|
|
52 5.1000000000000D-01 -5.1924782195436D+00
|
|
53 5.2000000000000D-01 -5.1625591424515D+00
|
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54 5.3000000000000D-01 -5.1322514044905D+00
|
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55 5.4000000000000D-01 -5.1015649088446D+00
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56 5.5000000000000D-01 -5.0705096669775D+00
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57 5.6000000000000D-01 -5.0390957960323D+00
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58 5.7000000000000D-01 -5.0073335162175D+00
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59 5.8000000000000D-01 -4.9752331481824D+00
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60 5.9000000000000D-01 -4.9428051103830D+00
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61 6.0000000000000D-01 -4.9100599164405D+00
|
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62 6.1000000000000D-01 -4.8770081724957D+00
|
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63 6.2000000000000D-01 -4.8436605745588D+00
|
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64 6.3000000000000D-01 -4.8100279058589D+00
|
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65 6.4000000000000D-01 -4.7761210341934D+00
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66 6.5000000000000D-01 -4.7419509092779D+00
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67 6.6000000000000D-01 -4.7075285600988D+00
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68 6.7000000000000D-01 -4.6728650922661D+00
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69 6.8000000000000D-01 -4.6379716853698D+00
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70 6.9000000000000D-01 -4.6028595903337D+00
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71 7.0000000000000D-01 -4.5675401267698D+00
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72 7.1000000000000D-01 -4.5320246803261D+00
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73 7.2000000000000D-01 -4.4963247000282D+00
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74 7.3000000000000D-01 -4.4604516956074D+00
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75 7.4000000000000D-01 -4.4244172348115D+00
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76 7.5000000000000D-01 -4.3882329406923D+00
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77 7.6000000000000D-01 -4.3519104888626D+00
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78 7.7000000000000D-01 -4.3154616047139D+00
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79 7.8000000000000D-01 -4.2788980605880D+00
|
|
80 7.9000000000000D-01 -4.2422316728915D+00
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81 8.0000000000000D-01 -4.2054742991435D+00
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82 8.1000000000000D-01 -4.1686378349443D+00
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83 8.2000000000000D-01 -4.1317342108560D+00
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84 8.3000000000000D-01 -4.0947753891792D+00
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85 8.4000000000000D-01 -4.0577733606151D+00
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86 8.5000000000000D-01 -4.0207401407998D+00
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87 8.6000000000000D-01 -3.9836877666954D+00
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|
88 8.7000000000000D-01 -3.9466282928255D+00
|
|
89 8.8000000000000D-01 -3.9095737873400D+00
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90 8.9000000000000D-01 -3.8725363278961D+00
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91 9.0000000000000D-01 -3.8355279973409D+00
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92 9.1000000000000D-01 -3.7985608791801D+00
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|
93 9.2000000000000D-01 -3.7616470528235D+00
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94 9.3000000000000D-01 -3.7247985885889D+00
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95 9.4000000000000D-01 -3.6880275424569D+00
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96 9.5000000000000D-01 -3.6513459505599D+00
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97 9.6000000000000D-01 -3.6147658233965D+00
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|
98 9.7000000000000D-01 -3.5782991397634D+00
|
|
99 9.8000000000000D-01 -3.5419578403876D+00
|
|
100 9.9000000000000D-01 -3.5057538212579D+00
|
|
101 1.0000000000000D+00 -3.4696989266443D+00
|
|
102 1.0100000000000D+00 -3.4338049417975D+00
|
|
103 1.0200000000000D+00 -3.3980835853264D+00
|
|
104 1.0300000000000D+00 -3.3625465012428D+00
|
|
105 1.0400000000000D+00 -3.3272052506755D+00
|
|
106 1.0500000000000D+00 -3.2920713032480D+00
|
|
107 1.0600000000000D+00 -3.2571560281167D+00
|
|
108 1.0700000000000D+00 -3.2224706846681D+00
|
|
109 1.0800000000000D+00 -3.1880264128801D+00
|
|
110 1.0900000000000D+00 -3.1538342233385D+00
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|
111 1.1000000000000D+00 -3.1199049869173D+00
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112 1.1100000000000D+00 -3.0862494241217D+00
|
|
113 1.1200000000000D+00 -3.0528780940935D+00
|
|
114 1.1300000000000D+00 -3.0198013832847D+00
|
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115 1.1400000000000D+00 -2.9870294938035D+00
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116 1.1500000000000D+00 -2.9545724314324D+00
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117 1.1600000000000D+00 -2.9224399933236D+00
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118 1.1700000000000D+00 -2.8906417553787D+00
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119 1.1800000000000D+00 -2.8591870593185D+00
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120 1.1900000000000D+00 -2.8280849994453D+00
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121 1.2000000000000D+00 -2.7973444091069D+00
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122 1.2100000000000D+00 -2.7669738468731D+00
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123 1.2200000000000D+00 -2.7369815824313D+00
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124 1.2300000000000D+00 -2.7073755822154D+00
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125 1.2400000000000D+00 -2.6781634947802D+00
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126 1.2500000000000D+00 -2.6493526359383D+00
|
|
127 1.2600000000000D+00 -2.6209499736792D+00
|
|
128 1.2700000000000D+00 -2.5929621128951D+00
|
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129 1.2800000000000D+00 -2.5653952799379D+00
|
|
130 1.2900000000000D+00 -2.5382553070416D+00
|
|
131 1.3000000000000D+00 -2.5115476166444D+00
|
|
132 1.3100000000000D+00 -2.4852772056538D+00
|
|
133 1.3200000000000D+00 -2.4594486297079D+00
|
|
134 1.3300000000000D+00 -2.4340659874788D+00
|
|
135 1.3400000000000D+00 -2.4091329050863D+00
|
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136 1.3500000000000D+00 -2.3846525206921D+00
|
|
137 1.3600000000000D+00 -2.3606274693394D+00
|
|
138 1.3700000000000D+00 -2.3370598681317D+00
|
|
139 1.3800000000000D+00 -2.3139513018312D+00
|
|
140 1.3900000000000D+00 -2.2913028089720D+00
|
|
141 1.4000000000000D+00 -2.2691148685855D+00
|
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142 1.4100000000000D+00 -2.2473873876317D+00
|
|
143 1.4200000000000D+00 -2.2261196892453D+00
|
|
144 1.4300000000000D+00 -2.2053105018855D+00
|
|
145 1.4400000000000D+00 -2.1849579494979D+00
|
|
146 1.4500000000000D+00 -2.1650595427502D+00
|
|
147 1.4600000000000D+00 -2.1456121714514D+00
|
|
148 1.4700000000000D+00 -2.1266120981926D+00
|
|
149 1.4800000000000D+00 -2.1080549532575D+00
|
|
150 1.4900000000000D+00 -2.0899357308614D+00
|
|
151 1.5000000000000D+00 -2.0722487866410D+00
|
|
152 1.5100000000000D+00 -2.0549878364965D+00
|
|
153 1.5200000000000D+00 -2.0381459565735D+00
|
|
154 1.5300000000000D+00 -2.0217155844513D+00
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|
155 1.5400000000000D+00 -2.0056885212833D+00
|
|
156 1.5500000000000D+00 -1.9900559348405D+00
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|
157 1.5600000000000D+00 -1.9748083622773D+00
|
|
158 1.5700000000000D+00 -1.9599357184987D+00
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159 1.5800000000000D+00 -1.9454272869539D+00
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160 1.5900000000000D+00 -1.9312717599478D+00
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161 1.6000000000000D+00 -1.9174572142931D+00
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162 1.6100000000000D+00 -1.9039710123273D+00
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163 1.6200000000000D+00 -1.8908000988580D+00
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164 1.6300000000000D+00 -1.8779312595600D+00
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165 1.6400000000000D+00 -1.8653513502458D+00
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166 1.6500000000000D+00 -1.8530476009033D+00
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167 1.6600000000000D+00 -1.8410075243112D+00
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168 1.6700000000000D+00 -1.8292188696297D+00
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169 1.6800000000000D+00 -1.8176696723909D+00
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170 1.6900000000000D+00 -1.8063482344682D+00
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171 1.7000000000000D+00 -1.7952431288232D+00
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172 1.7100000000000D+00 -1.7843431978338D+00
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173 1.7200000000000D+00 -1.7736375524065D+00
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174 1.7300000000000D+00 -1.7631155602116D+00
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175 1.7400000000000D+00 -1.7527668426619D+00
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176 1.7500000000000D+00 -1.7425814398385D+00
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177 1.7600000000000D+00 -1.7325495578823D+00
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178 1.7700000000000D+00 -1.7226613863015D+00
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179 1.7800000000000D+00 -1.7129079747148D+00
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180 1.7900000000000D+00 -1.7032796439607D+00
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181 1.8000000000000D+00 -1.6937684801179D+00
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182 1.8100000000000D+00 -1.6843732118271D+00
|
|
183 1.8200000000000D+00 -1.6750934862159D+00
|
|
184 1.8300000000000D+00 -1.6659280232849D+00
|
|
185 1.8400000000000D+00 -1.6568707766715D+00
|
|
186 1.8500000000000D+00 -1.6478950917770D+00
|
|
187 1.8600000000000D+00 -1.6389543482428D+00
|
|
188 1.8700000000000D+00 -1.6300131144356D+00
|
|
189 1.8800000000000D+00 -1.6210667172432D+00
|
|
190 1.8900000000000D+00 -1.6121231010765D+00
|
|
191 1.9000000000000D+00 -1.6032214862578D+00
|
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192 1.9100000000000D+00 -1.5944030278371D+00
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|
193 1.9200000000000D+00 -1.5856589675161D+00
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194 1.9300000000000D+00 -1.5769582929294D+00
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195 1.9400000000000D+00 -1.5682925157616D+00
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196 1.9500000000000D+00 -1.5596845102609D+00
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197 1.9600000000000D+00 -1.5511574542779D+00
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198 1.9700000000000D+00 -1.5427184050584D+00
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199 1.9800000000000D+00 -1.5343734492416D+00
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200 1.9900000000000D+00 -1.5261261738407D+00
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201 2.0000000000000D+00 -1.5179771229882D+00
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202 2.0100000000000D+00 -1.5099249162818D+00
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203 2.0200000000000D+00 -1.5019673624672D+00
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204 2.0300000000000D+00 -1.4941017445725D+00
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205 2.0400000000000D+00 -1.4863263836298D+00
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206 2.0500000000000D+00 -1.4786397838860D+00
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207 2.0600000000000D+00 -1.4710403158773D+00
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208 2.0700000000000D+00 -1.4635262864730D+00
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209 2.0800000000000D+00 -1.4560961031986D+00
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210 2.0900000000000D+00 -1.4487482214685D+00
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211 2.1000000000000D+00 -1.4414811336502D+00
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212 2.1100000000000D+00 -1.4342933717572D+00
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213 2.1200000000000D+00 -1.4271835056391D+00
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214 2.1300000000000D+00 -1.4201501414226D+00
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215 2.1400000000000D+00 -1.4131919204936D+00
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216 2.1500000000000D+00 -1.4063075183736D+00
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217 2.1600000000000D+00 -1.3994956436353D+00
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218 2.1700000000000D+00 -1.3927550368582D+00
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219 2.1800000000000D+00 -1.3860844696232D+00
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220 2.1900000000000D+00 -1.3794827435464D+00
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221 2.2000000000000D+00 -1.3729486893459D+00
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222 2.2100000000000D+00 -1.3664811659442D+00
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223 2.2200000000000D+00 -1.3600790596043D+00
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224 2.2300000000000D+00 -1.3537412830945D+00
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225 2.2400000000000D+00 -1.3474667748870D+00
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226 2.2500000000000D+00 -1.3412544983817D+00
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227 2.2600000000000D+00 -1.3351034411597D+00
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228 2.2700000000000D+00 -1.3290126142641D+00
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229 2.2800000000000D+00 -1.3229810515039D+00
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230 2.2900000000000D+00 -1.3170078087843D+00
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231 2.3000000000000D+00 -1.3110919634601D+00
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232 2.3100000000000D+00 -1.3052326137106D+00
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233 2.3200000000000D+00 -1.2994288779377D+00
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234 2.3300000000000D+00 -1.2936798941842D+00
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235 2.3400000000000D+00 -1.2879848195704D+00
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236 2.3500000000000D+00 -1.2823428297537D+00
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237 2.3600000000000D+00 -1.2767531184023D+00
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238 2.3700000000000D+00 -1.2712148966895D+00
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239 2.3800000000000D+00 -1.2657273928043D+00
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240 2.3900000000000D+00 -1.2602898514780D+00
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241 2.4000000000000D+00 -1.2549015335266D+00
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242 2.4100000000000D+00 -1.2495617154092D+00
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243 2.4200000000000D+00 -1.2442696887996D+00
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244 2.4300000000000D+00 -1.2390247601729D+00
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245 2.4400000000000D+00 -1.2338262504057D+00
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246 2.4500000000000D+00 -1.2286734943884D+00
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247 2.4600000000000D+00 -1.2235658406508D+00
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248 2.4700000000000D+00 -1.2185026509996D+00
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249 2.4800000000000D+00 -1.2134833001672D+00
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250 2.4900000000000D+00 -1.2085071754720D+00
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251 2.5000000000000D+00 -1.2035736764890D+00
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252 2.5100000000000D+00 -1.1986822147315D+00
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253 2.5200000000000D+00 -1.1938322133423D+00
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254 2.5300000000000D+00 -1.1890231067945D+00
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255 2.5400000000000D+00 -1.1842543406017D+00
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256 2.5500000000000D+00 -1.1795253710373D+00
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257 2.5600000000000D+00 -1.1748356648625D+00
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258 2.5700000000000D+00 -1.1701846990617D+00
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259 2.5800000000000D+00 -1.1655719605875D+00
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260 2.5900000000000D+00 -1.1609969461125D+00
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261 2.6000000000000D+00 -1.1564591617881D+00
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262 2.6100000000000D+00 -1.1519581230118D+00
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263 2.6200000000000D+00 -1.1474933542008D+00
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264 2.6300000000000D+00 -1.1430643885718D+00
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265 2.6400000000000D+00 -1.1386707679283D+00
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266 2.6500000000000D+00 -1.1343120424539D+00
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267 2.6600000000000D+00 -1.1299877705109D+00
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268 2.6700000000000D+00 -1.1256975184457D+00
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269 2.6800000000000D+00 -1.1214408603997D+00
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270 2.6900000000000D+00 -1.1172173781251D+00
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271 2.7000000000000D+00 -1.1130266608064D+00
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272 2.7100000000000D+00 -1.1088683048877D+00
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273 2.7200000000000D+00 -1.1047419139030D+00
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274 2.7300000000000D+00 -1.1006470983134D+00
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275 2.7400000000000D+00 -1.0965834753479D+00
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276 2.7500000000000D+00 -1.0925506688487D+00
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277 2.7600000000000D+00 -1.0885483091205D+00
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278 2.7700000000000D+00 -1.0845760327852D+00
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279 2.7800000000000D+00 -1.0806334826393D+00
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280 2.7900000000000D+00 -1.0767203075159D+00
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281 2.8000000000000D+00 -1.0728361621503D+00
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282 2.8100000000000D+00 -1.0689807070497D+00
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283 2.8200000000000D+00 -1.0651536083655D+00
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513 5.1200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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533 5.3200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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534 5.3300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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536 5.3500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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538 5.3700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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539 5.3800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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543 5.4200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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554 5.5300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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555 5.5400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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556 5.5500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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557 5.5600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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558 5.5700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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559 5.5800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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560 5.5900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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561 5.6000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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562 5.6100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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563 5.6200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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564 5.6300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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565 5.6400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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567 5.6600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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568 5.6700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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569 5.6800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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570 5.6900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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571 5.7000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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572 5.7100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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573 5.7200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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574 5.7300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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575 5.7400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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577 5.7600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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578 5.7700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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579 5.7800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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580 5.7900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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581 5.8000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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583 5.8200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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585 5.8400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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587 5.8600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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588 5.8700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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589 5.8800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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590 5.8900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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591 5.9000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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593 5.9200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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594 5.9300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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595 5.9400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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597 5.9600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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598 5.9700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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599 5.9800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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600 5.9900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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1 0.0000000000000D+00 4.2608901742512D+00 -2.4286128663675D-17 -4.0523140398818D-15 4.0242511412330D-02 -1.4561804637425D+02
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2 1.0000000000000D-02 4.2608901209534D+00 -2.1923141207016D-05 -6.7448699832264D-03 -1.3759336500425D+00 -1.3764830227766D+02
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3 2.0000000000000D-02 4.2608892784566D+00 -1.8078326408274D-04 -2.7256118690383D-02 -2.7133429326066D+00 -1.2986437772080D+02
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4 3.0000000000000D-02 4.2608856021225D+00 -6.1033670862641D-04 -6.0755339022020D-02 -3.9738347454188D+00 -1.2226451545202D+02
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5 4.0000000000000D-02 4.2608757483623D+00 -1.4366479214244D-03 -1.0648253010750D-01 -5.1592409251016D+00 -1.1484695821963D+02
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7 6.0000000000000D-02 4.2608180936421D+00 -4.7464393157868D-03 -2.3167179785043D-01 -7.3120358689850D+00 -1.0055172985742D+02
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8 7.0000000000000D-02 4.2607577856682D+00 -7.4452287901617D-03 -3.0970432238413D-01 -8.2830004438470D+00 -9.3670544224249D+01
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9 8.0000000000000D-02 4.2606664291984D+00 -1.0971752199478D-02 -3.9710536197385D-01 -9.1860310069024D+00 -8.6964634620824D+01
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10 9.0000000000000D-02 4.2605352897170D+00 -1.5416327133159D-02 -4.9320431101546D-01 -1.0022871532190D+01 -8.0432243795476D+01
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11 1.0000000000000D-01 4.2603547627729D+00 -2.0862652030411D-02 -5.9734791578267D-01 -1.0795248421233D+01 -7.4071614496540D+01
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12 1.1000000000000D-01 4.2601144393062D+00 -2.7387978820382D-02 -7.0890009870183D-01 -1.1504870503037D+01 -6.7880989472350D+01
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13 1.2000000000000D-01 4.2598031692574D+00 -3.5063283805056D-02 -8.2724178262675D-01 -1.2153429034091D+01 -6.1858611471243D+01
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14 1.3000000000000D-01 4.2594091234769D+00 -4.3953436784904D-02 -9.5177071511355D-01 -1.2742597698367D+01 -5.6002723241551D+01
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15 1.4000000000000D-01 4.2589198539513D+00 -5.4117368427282D-02 -1.0819012926955D+00 -1.3274032607321D+01 -5.0311567531611D+01
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16 1.5000000000000D-01 4.2583223523657D+00 -6.5608235877579D-02 -1.2170643851579D+00 -1.3749372299892D+01 -4.4783387089757D+01
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17 1.6000000000000D-01 4.2576031070176D+00 -7.8473586613103D-02 -1.3567071598127D+00 -1.4170237742504D+01 -3.9416424664324D+01
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18 1.7000000000000D-01 4.2567481581020D+00 -9.2755520539733D-02 -1.5002929057736D+00 -1.4538232329061D+01 -3.4208923003648D+01
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19 1.8000000000000D-01 4.2557431513841D+00 -1.0849085033130D-01 -1.6473008582308D+00 -1.4854941880954D+01 -2.9159124856062D+01
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20 1.9000000000000D-01 4.2545733902767D+00 -1.2571126001174D-01 -1.7972260227259D+00 -1.5121934647054D+01 -2.4265272969902D+01
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21 2.0000000000000D-01 4.2532238863417D+00 -1.4444346177996D-01 -1.9495789994263D+00 -1.5340761303718D+01 -1.9525610093503D+01
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22 2.1000000000000D-01 4.2516794082312D+00 -1.6470935107749D-01 -2.1038858074007D+00 -1.5512954954784D+01 -1.4938378975200D+01
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23 2.2000000000000D-01 4.2499245290871D+00 -1.8652615989887D-01 -2.2596877088936D+00 -1.5640031131577D+01 -1.0501822363327D+01
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24 2.3000000000000D-01 4.2479436724165D+00 -2.0990660834477D-01 -2.4165410335999D+00 -1.5723487792900D+01 -6.2141830062192D+00
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25 2.4000000000000D-01 4.2457211564599D+00 -2.3485905441787D-01 -2.5740170029401D+00 -1.5764805325045D+01 -2.0737036522122D+00
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26 2.5000000000000D-01 4.2432412370709D+00 -2.6138764206151D-01 -2.7317015543352D+00 -1.5765446541783D+01 1.9213729503596D+00
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27 2.6000000000000D-01 4.2404881491237D+00 -2.8949244744102D-01 -2.8891951654811D+00 -1.5726856684370D+01 5.7728040531612D+00
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28 2.7000000000000D-01 4.2374461464666D+00 -3.1916962346791D-01 -3.0461126786238D+00 -1.5650463421546D+01 9.4823469078577D+00
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29 2.8000000000000D-01 4.2340995404397D+00 -3.5041154256671D-01 -3.2020831248339D+00 -1.5537676849534D+01 1.3051758766114D+01
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30 2.9000000000000D-01 4.2304327369730D+00 -3.8320693768457D-01 -3.3567495482820D+00 -1.5389889492040D+01 1.6482796879596D+01
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31 3.0000000000000D-01 4.2264302722833D+00 -4.1754104154366D-01 -3.5097688305129D+00 -1.5208476300253D+01 1.9777218499968D+01
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32 3.1000000000000D-01 4.2220768471878D+00 -4.5339572413631D-01 -3.6608115147208D+00 -1.4994794652845D+01 2.2936780878895D+01
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33 3.2000000000000D-01 4.2173573600511D+00 -4.9074962846282D-01 -3.8095616300241D+00 -1.4750184355974D+01 2.5963241268043D+01
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34 3.3000000000000D-01 4.2122569383838D+00 -5.2957830451212D-01 -3.9557165157401D+00 -1.4475967643278D+01 2.8858356919076D+01
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35 3.4000000000000D-01 4.2067609691100D+00 -5.6985434148511D-01 -4.0989866456598D+00 -1.4173449175881D+01 3.1623885083660D+01
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36 3.5000000000000D-01 4.2008551275213D+00 -6.1154749826079D-01 -4.2390954523232D+00 -1.3843916042388D+01 3.4261583013459D+01
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37 3.6000000000000D-01 4.1945254049352D+00 -6.5462483210512D-01 -4.3757791512934D+00 -1.3488637758889D+01 3.6773207960140D+01
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38 3.7000000000000D-01 4.1877581350748D+00 -6.9905082562260D-01 -4.5087865654320D+00 -1.3108866268956D+01 3.9160517175366D+01
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39 3.8000000000000D-01 4.1805400191883D+00 -7.4478751195067D-01 -4.6378789491738D+00 -1.2705835943647D+01 4.1425267910803D+01
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|
511 5.1000000000000D+00 5.1308059020663D-03 5.1309718553075D-03 1.2318446675994D-05
|
|
512 5.1100000000000D+00 5.0671080496205D-03 5.0672773972514D-03 1.1979620685745D-05
|
|
513 5.1200000000000D+00 5.0042565391198D-03 5.0044291854538D-03 1.1650216096535D-05
|
|
514 5.1300000000000D+00 4.9422393518521D-03 4.9424152028827D-03 1.1329967776897D-05
|
|
515 5.1400000000000D+00 4.8810446489705D-03 4.8812236123465D-03 1.1018618181559D-05
|
|
516 5.1500000000000D+00 4.8206607686889D-03 4.8208427536911D-03 1.0715917093396D-05
|
|
517 5.1600000000000D+00 4.7610762235711D-03 4.7612611410887D-03 1.0421621421745D-05
|
|
518 5.1700000000000D+00 4.7022796978512D-03 4.7024674603584D-03 1.0135494997133D-05
|
|
519 5.1800000000000D+00 4.6442600447935D-03 4.6444505663268D-03 9.8573083714211D-06
|
|
520 5.1900000000000D+00 4.5870062840816D-03 4.5871994802170D-03 9.5868386138884D-06
|
|
521 5.2000000000000D+00 4.5305075992948D-03 4.5307033871253D-03 9.3238691525679D-06
|
|
522 5.2100000000000D+00 4.4747533353582D-03 4.4749516334716D-03 9.0681895674439D-06
|
|
523 5.2200000000000D+00 4.4197329960628D-03 4.4199337245200D-03 8.8195954148236D-06
|
|
524 5.2300000000000D+00 4.3654362416246D-03 4.3656393219380D-03 8.5778880574645D-06
|
|
525 5.2400000000000D+00 4.3118528862781D-03 4.3120582413898D-03 8.3428744973495D-06
|
|
526 5.2500000000000D+00 4.2589728958971D-03 4.2591804501581D-03 8.1143672068352D-06
|
|
527 5.2600000000000D+00 4.2067863856852D-03 4.2069960648346D-03 7.8921839875254D-06
|
|
528 5.2700000000000D+00 4.1552836178704D-03 4.1554953490146D-03 7.6761478113003D-06
|
|
529 5.2800000000000D+00 4.1044549994298D-03 4.1046687110221D-03 7.4660866632619D-06
|
|
530 5.2900000000000D+00 4.0542910798695D-03 4.0545067016902D-03 7.2618334021097D-06
|
|
531 5.3000000000000D+00 4.0047825490315D-03 4.0050000121679D-03 7.0632256201407D-06
|
|
532 5.3100000000000D+00 3.9559202349296D-03 3.9561394717563D-03 6.8701055044212D-06
|
|
533 5.3200000000000D+00 3.9076951016278D-03 3.9079160457876D-03 6.6823197073299D-06
|
|
534 5.3300000000000D+00 3.8600982471705D-03 3.8603208335548D-03 6.4997192316397D-06
|
|
535 5.3400000000000D+00 3.8131209014874D-03 3.8133450662177D-03 6.3221592865071D-06
|
|
536 5.3500000000000D+00 3.7667544243770D-03 3.7669801047862D-03 6.1494991736310D-06
|
|
537 5.3600000000000D+00 3.7209903035093D-03 3.7212174381229D-03 5.9816021699816D-06
|
|
538 5.3700000000000D+00 3.6758201524590D-03 3.6760486809776D-03 5.8183354139841D-06
|
|
539 5.3800000000000D+00 3.6312357087536D-03 3.6314655720342D-03 5.6595697869061D-06
|
|
540 5.3900000000000D+00 3.5872288320187D-03 3.5874599720575D-03 5.5051798309358D-06
|
|
541 5.4000000000000D+00 3.5437915020536D-03 3.5440238619682D-03 5.3550436211934D-06
|
|
542 5.4100000000000D+00 3.5009158169956D-03 3.5011493410078D-03 5.2090426703746D-06
|
|
543 5.4200000000000D+00 3.4585939915028D-03 3.4588286249217D-03 5.0670618311364D-06
|
|
544 5.4300000000000D+00 3.4168183549639D-03 3.4170540441690D-03 4.9289892006994D-06
|
|
545 5.4400000000000D+00 3.3755813497269D-03 3.3758180421511D-03 4.7947160244123D-06
|
|
546 5.4500000000000D+00 3.3348755293829D-03 3.3351131734966D-03 4.6641366139205D-06
|
|
547 5.4600000000000D+00 3.2946935570607D-03 3.2949321023556D-03 4.5371482609209D-06
|
|
548 5.4700000000000D+00 3.2550282037232D-03 3.2552676006960D-03 4.4136511428524D-06
|
|
549 5.4800000000000D+00 3.2158723465218D-03 3.2161125466585D-03 4.2935482446012D-06
|
|
550 5.4900000000000D+00 3.1772189671663D-03 3.1774599229271D-03 4.1767452784965D-06
|
|
551 5.5000000000000D+00 3.1390611503217D-03 3.1393028151251D-03 4.0631506066514D-06
|
|
552 5.5100000000000D+00 3.1013920820106D-03 3.1016344102185D-03 3.9526751588992D-06
|
|
553 5.5200000000000D+00 3.0642050481161D-03 3.0644479950188D-03 3.8452323805390D-06
|
|
554 5.5300000000000D+00 3.0274934327964D-03 3.0277369545981D-03 3.7407381409429D-06
|
|
555 5.5400000000000D+00 2.9912507169941D-03 2.9914947707979D-03 3.6391106700615D-06
|
|
556 5.5500000000000D+00 2.9554704769538D-03 2.9557150207479D-03 3.5402704915939D-06
|
|
557 5.5600000000000D+00 2.9201463827629D-03 2.9203913754060D-03 3.4441403578211D-06
|
|
558 5.5700000000000D+00 2.8852721969077D-03 2.8855175981153D-03 3.3506451840809D-06
|
|
559 5.5800000000000D+00 2.8508417728689D-03 2.8510875431995D-03 3.2597119904832D-06
|
|
560 5.5900000000000D+00 2.8168490537473D-03 2.8170951545888D-03 3.1712698479274D-06
|
|
561 5.6000000000000D+00 2.7832880708606D-03 2.7835344644167D-03 3.0852498095082D-06
|
|
562 5.6100000000000D+00 2.7501529424063D-03 2.7503995916838D-03 3.0015848581679D-06
|
|
563 5.6200000000000D+00 2.7174378721342D-03 2.7176847409293D-03 2.9202098519846D-06
|
|
564 5.6300000000000D+00 2.6851371480389D-03 2.6853842009250D-03 2.8410614710557D-06
|
|
565 5.6400000000000D+00 2.6532451410603D-03 2.6534923433751D-03 2.7640781621590D-06
|
|
566 5.6500000000000D+00 2.6217563038532D-03 2.6220036216859D-03 2.6892000988116D-06
|
|
567 5.6600000000000D+00 2.5906651695184D-03 2.5909125696978D-03 2.6163691264369D-06
|
|
568 5.6700000000000D+00 2.5599663503687D-03 2.5602138004507D-03 2.5455287130241D-06
|
|
569 5.6800000000000D+00 2.5296545367268D-03 2.5299020049830D-03 2.4766239049722D-06
|
|
570 5.6900000000000D+00 2.4997244957370D-03 2.4999719511422D-03 2.4096012824693D-06
|
|
571 5.7000000000000D+00 2.4701710701941D-03 2.4704184824151D-03 2.3444089161687D-06
|
|
572 5.7100000000000D+00 2.4409891773740D-03 2.4412365167581D-03 2.2809963206520D-06
|
|
573 5.7200000000000D+00 2.4121738079549D-03 2.4124210455182D-03 2.2193144273314D-06
|
|
574 5.7300000000000D+00 2.3837200248494D-03 2.3839671322662D-03 2.1593155318898D-06
|
|
575 5.7400000000000D+00 2.3556229621187D-03 2.3558699117100D-03 2.1009532587919D-06
|
|
576 5.7500000000000D+00 2.3278778238918D-03 2.3281245886149D-03 2.0441825241885D-06
|
|
577 5.7600000000000D+00 2.3004798833018D-03 2.3007264367393D-03 1.9889594995024D-06
|
|
578 5.7700000000000D+00 2.2734244814358D-03 2.2736707977852D-03 1.9352415757301D-06
|
|
579 5.7800000000000D+00 2.2467070262909D-03 2.2469530803543D-03 1.8829873262043D-06
|
|
580 5.7900000000000D+00 2.2203229918108D-03 2.2205687589845D-03 1.8321564847458D-06
|
|
581 5.8000000000000D+00 2.1942679168314D-03 2.1945133730958D-03 1.7827099010140D-06
|
|
582 5.8100000000000D+00 2.1685374041142D-03 2.1687825260242D-03 1.7346095129074D-06
|
|
583 5.8200000000000D+00 2.1431271193786D-03 2.1433718840532D-03 1.6878183159425D-06
|
|
584 5.8300000000000D+00 2.1180327903481D-03 2.1182771754614D-03 1.6423003335164D-06
|
|
585 5.8400000000000D+00 2.0932502058094D-03 2.0934941895808D-03 1.5980205874342D-06
|
|
586 5.8500000000000D+00 2.0687752146821D-03 2.0690187758668D-03 1.5549450685218D-06
|
|
587 5.8600000000000D+00 2.0446037251523D-03 2.0448468430323D-03 1.5130407176985D-06
|
|
588 5.8700000000000D+00 2.0207317037285D-03 2.0209743581033D-03 1.4722753898901D-06
|
|
589 5.8800000000000D+00 1.9971551743771D-03 1.9973973455550D-03 1.4326178314617D-06
|
|
590 5.8900000000000D+00 1.9738702176556D-03 1.9741118864445D-03 1.3940376551981D-06
|
|
591 5.9000000000000D+00 1.9508729698587D-03 1.9511141175578D-03 1.3565053160059D-06
|
|
592 5.9100000000000D+00 1.9281596221757D-03 1.9284002305665D-03 1.3199920868115D-06
|
|
593 5.9200000000000D+00 1.9057264198562D-03 1.9059664711945D-03 1.2844700343715D-06
|
|
594 5.9300000000000D+00 1.8835696614389D-03 1.8838091384462D-03 1.2499120044501D-06
|
|
595 5.9400000000000D+00 1.8616856979014D-03 1.8619245837568D-03 1.2162915916436D-06
|
|
596 5.9500000000000D+00 1.8400709318881D-03 1.8403092102200D-03 1.1835831211533D-06
|
|
597 5.9600000000000D+00 1.8187218169328D-03 1.8189594718114D-03 1.1517616283314D-06
|
|
598 5.9700000000000D+00 1.7976348566953D-03 1.7978718726243D-03 1.1208028388138D-06
|
|
599 5.9800000000000D+00 1.7768066042077D-03 1.7770429661168D-03 1.0906831490527D-06
|
|
600 5.9900000000000D+00 1.7562336611196D-03 1.7564693543570D-03 1.0613796053513D-06
|
|
<INPUT>
|
|
#
|
|
#ONCVPSP (Optimized Norm-Conservinng Vanderbilt PSeudopotential)
|
|
#relativistic version 3.3.0 09/16/2017
|
|
#
|
|
#While it is not required under the terms of the GNU GPL, it is
|
|
#suggested that you cite D. R. Hamann, Phys. Rev. B 88, 085117 (2013)
|
|
#in any publication utilizing these pseudopotentials.
|
|
#
|
|
#Echo of input data for oncvpsp-3.3.0
|
|
# ATOM AND REFERENCE CONFIGURATION
|
|
# atsym z nc nv iexc psfile
|
|
Ga 31.00 6 2 4 psp8
|
|
#
|
|
# n l f energy (Ha)
|
|
1 0 2.00
|
|
2 0 2.00
|
|
2 1 6.00
|
|
3 0 2.00
|
|
3 1 6.00
|
|
3 2 10.00
|
|
4 0 2.00
|
|
4 1 1.00
|
|
#
|
|
# PSEUDOPOTENTIAL AND OPTIMIZATION
|
|
# lmax
|
|
2
|
|
#
|
|
# l, rc, ep, ncon, nbas, qcut
|
|
0 1.85000 -0.32881 3 7 4.70000
|
|
1 1.80000 -0.09340 3 7 5.00000
|
|
2 2.60000 0.10000 3 7 4.60000
|
|
#
|
|
# LOCAL POTENTIAL
|
|
# lloc, lpopt, rc(5), dvloc0
|
|
4 5 1.60000 0.00000
|
|
#
|
|
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
|
|
# l, nproj, debl
|
|
0 2 3.00000
|
|
1 2 2.99858
|
|
2 2 3.00000
|
|
#
|
|
# MODEL CORE CHARGE
|
|
# icmod, fcfact, rcfact
|
|
1 0.50000 0.00000
|
|
#
|
|
# LOG DERIVATIVE ANALYSIS
|
|
# epsh1, epsh2, depsh
|
|
-12.00 12.00 0.02
|
|
#
|
|
# OUTPUT GRID
|
|
# rlmax, drl
|
|
6.00 0.01
|
|
#
|
|
# TEST CONFIGURATIONS
|
|
# ncnf
|
|
0
|
|
# nvcnf
|
|
# n l f
|
|
</INPUT>
|
|
|
|
END_PSP
|