mirror of https://github.com/abinit/abinit.git
4871 lines
367 KiB
Plaintext
4871 lines
367 KiB
Plaintext
O ONCVPSP-3.3.0 r_core= 1.35509 1.45563 1.35509
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8.0000 6.0000 171117 zatom,zion,pspd
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8 -1012 2 4 600 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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5.99000000 4.00000000 0.00000000 rchrg fchrg qchrg
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2 2 2 0 nproj
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3 1 extension_switch
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2 2 0 nprojso
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0 8.1615335106874D-01 6.0260201726548D+00
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1 0.0000000000000D+00 5.7017650600955D-09 -2.2644814912098D-09
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3 2.0000000000000D-02 -7.5916944180707D-02 1.9319059992874D-01
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4 3.0000000000000D-02 -1.1269068176092D-01 2.8885604162803D-01
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5 4.0000000000000D-02 -1.4805919315947D-01 3.8341364584459D-01
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536 5.3500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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537 5.3600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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538 5.3700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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539 5.3800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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544 5.4300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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545 5.4400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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546 5.4500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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548 5.4700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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550 5.4900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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551 5.5000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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552 5.5100000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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553 5.5200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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554 5.5300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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555 5.5400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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556 5.5500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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557 5.5600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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558 5.5700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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559 5.5800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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560 5.5900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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561 5.6000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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564 5.6300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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565 5.6400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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567 5.6600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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569 5.6800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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570 5.6900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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575 5.7400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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577 5.7600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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580 5.7900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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583 5.8200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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585 5.8400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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586 5.8500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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587 5.8600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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588 5.8700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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589 5.8800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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590 5.8900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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591 5.9000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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592 5.9100000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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593 5.9200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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594 5.9300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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595 5.9400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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597 5.9600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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598 5.9700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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599 5.9800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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600 5.9900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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2 -1.0335854455047D+00 -1.5172542206789D-07
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1 0.0000000000000D+00 -5.6756834614091D-08 3.9144901854693D-08
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3 2.0000000000000D-02 -8.8972127883320D-04 7.4077739739144D-04
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4 3.0000000000000D-02 -2.9775479718700D-03 2.4821295781837D-03
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5 4.0000000000000D-02 -6.9747073555650D-03 5.8243012864222D-03
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6 5.0000000000000D-02 -1.3415734170017D-02 1.1228255922602D-02
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7 6.0000000000000D-02 -2.2751368081017D-02 1.9095161573845D-02
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8 7.0000000000000D-02 -3.5331945181877D-02 2.9754457822116D-02
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9 8.0000000000000D-02 -5.1393523058416D-02 4.3453822697739D-02
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10 9.0000000000000D-02 -7.1047131151034D-02 6.0351312957142D-02
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11 1.0000000000000D-01 -9.4271459802090D-02 8.0509896791105D-02
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12 1.1000000000000D-01 -1.2090921492449D-01 1.0389453844437D-01
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13 1.2000000000000D-01 -1.5066727273833D-01 1.3037193038723D-01
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14 1.3000000000000D-01 -1.8312067271555D-01 1.5971290213946D-01
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15 1.4000000000000D-01 -2.1772038906563D-01 1.9159746732001D-01
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17 1.6000000000000D-01 -2.9061407346308D-01 2.6131119405617D-01
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23 2.2000000000000D-01 -4.7679398364462D-01 4.7785233280200D-01
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24 2.3000000000000D-01 -4.9347211909461D-01 5.0861363016163D-01
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26 2.5000000000000D-01 -5.0720850257324D-01 5.6055527896095D-01
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526 5.2500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
527 5.2600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
528 5.2700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
529 5.2800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
530 5.2900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
531 5.3000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
532 5.3100000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
533 5.3200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
534 5.3300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
535 5.3400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
536 5.3500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
537 5.3600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
538 5.3700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
539 5.3800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
540 5.3900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
541 5.4000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
542 5.4100000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
543 5.4200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
544 5.4300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
545 5.4400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
546 5.4500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
547 5.4600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
548 5.4700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
549 5.4800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
550 5.4900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
551 5.5000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
552 5.5100000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
553 5.5200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
554 5.5300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
555 5.5400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
556 5.5500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
557 5.5600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
558 5.5700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
559 5.5800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
560 5.5900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
561 5.6000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
562 5.6100000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
563 5.6200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
564 5.6300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
565 5.6400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
566 5.6500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
567 5.6600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
568 5.6700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
569 5.6800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
570 5.6900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
571 5.7000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
572 5.7100000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
573 5.7200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
574 5.7300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
575 5.7400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
576 5.7500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
577 5.7600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
578 5.7700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
579 5.7800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
580 5.7900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
581 5.8000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
582 5.8100000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
583 5.8200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
584 5.8300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
585 5.8400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
586 5.8500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
587 5.8600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
588 5.8700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
589 5.8800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
590 5.8900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
591 5.9000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
592 5.9100000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
593 5.9200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
594 5.9300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
595 5.9400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
596 5.9500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
597 5.9600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
598 5.9700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
599 5.9800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
600 5.9900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
4
|
|
1 0.0000000000000D+00 -1.0215540587859D+01
|
|
2 1.0000000000000D-02 -1.0215267604138D+01
|
|
3 2.0000000000000D-02 -1.0214447446482D+01
|
|
4 3.0000000000000D-02 -1.0213076625598D+01
|
|
5 4.0000000000000D-02 -1.0211149330886D+01
|
|
6 5.0000000000000D-02 -1.0208657456946D+01
|
|
7 6.0000000000000D-02 -1.0205590636900D+01
|
|
8 7.0000000000000D-02 -1.0201936283534D+01
|
|
9 8.0000000000000D-02 -1.0197679639243D+01
|
|
10 9.0000000000000D-02 -1.0192803834838D+01
|
|
11 1.0000000000000D-01 -1.0187289957172D+01
|
|
12 1.1000000000000D-01 -1.0181117125510D+01
|
|
13 1.2000000000000D-01 -1.0174262576608D+01
|
|
14 1.3000000000000D-01 -1.0166701758444D+01
|
|
15 1.4000000000000D-01 -1.0158408432595D+01
|
|
16 1.5000000000000D-01 -1.0149354785257D+01
|
|
17 1.6000000000000D-01 -1.0139511546951D+01
|
|
18 1.7000000000000D-01 -1.0128848120995D+01
|
|
19 1.8000000000000D-01 -1.0117332720849D+01
|
|
20 1.9000000000000D-01 -1.0104932516488D+01
|
|
21 2.0000000000000D-01 -1.0091613789994D+01
|
|
22 2.1000000000000D-01 -1.0077342100588D+01
|
|
23 2.2000000000000D-01 -1.0062082459343D+01
|
|
24 2.3000000000000D-01 -1.0045799513824D+01
|
|
25 2.4000000000000D-01 -1.0028457742889D+01
|
|
26 2.5000000000000D-01 -1.0010021661842D+01
|
|
27 2.6000000000000D-01 -9.9904560380522D+00
|
|
28 2.7000000000000D-01 -9.9697261170285D+00
|
|
29 2.8000000000000D-01 -9.9477978587902D+00
|
|
30 2.9000000000000D-01 -9.9246381841306D+00
|
|
31 3.0000000000000D-01 -9.9002152301078D+00
|
|
32 3.1000000000000D-01 -9.8744986137455D+00
|
|
33 3.2000000000000D-01 -9.8474597025265D+00
|
|
34 3.3000000000000D-01 -9.8190718898014D+00
|
|
35 3.4000000000000D-01 -9.7893108727265D+00
|
|
36 3.5000000000000D-01 -9.7581549298131D+00
|
|
37 3.6000000000000D-01 -9.7255851946170D+00
|
|
38 3.7000000000000D-01 -9.6915859215771D+00
|
|
39 3.8000000000000D-01 -9.6561447395286D+00
|
|
40 3.9000000000000D-01 -9.6192528880366D+00
|
|
41 4.0000000000000D-01 -9.5809054314303D+00
|
|
42 4.1000000000000D-01 -9.5411014453280D+00
|
|
43 4.2000000000000D-01 -9.4998441705434D+00
|
|
44 4.3000000000000D-01 -9.4571411295926D+00
|
|
45 4.4000000000000D-01 -9.4130042015762D+00
|
|
46 4.5000000000000D-01 -9.3674496520066D+00
|
|
47 4.6000000000000D-01 -9.3204981151513D+00
|
|
48 4.7000000000000D-01 -9.2721745276410D+00
|
|
49 4.8000000000000D-01 -9.2225080133931D+00
|
|
50 4.9000000000000D-01 -9.1715317212627D+00
|
|
51 5.0000000000000D-01 -9.1192826181777D+00
|
|
52 5.1000000000000D-01 -9.0658012417771D+00
|
|
53 5.2000000000000D-01 -9.0111314176781D+00
|
|
54 5.3000000000000D-01 -8.9553199473900D+00
|
|
55 5.4000000000000D-01 -8.8984162735319D+00
|
|
56 5.5000000000000D-01 -8.8404721293713D+00
|
|
57 5.6000000000000D-01 -8.7815411797742D+00
|
|
58 5.7000000000000D-01 -8.7216786604641D+00
|
|
59 5.8000000000000D-01 -8.6609410220526D+00
|
|
60 5.9000000000000D-01 -8.5993855846720D+00
|
|
61 6.0000000000000D-01 -8.5370702082601D+00
|
|
62 6.1000000000000D-01 -8.4740529826733D+00
|
|
63 6.2000000000000D-01 -8.4103919408859D+00
|
|
64 6.3000000000000D-01 -8.3461447976164D+00
|
|
65 6.4000000000000D-01 -8.2813687148508D+00
|
|
66 6.5000000000000D-01 -8.2161200949303D+00
|
|
67 6.6000000000000D-01 -8.1504544011659D+00
|
|
68 6.7000000000000D-01 -8.0844260053434D+00
|
|
69 6.8000000000000D-01 -8.0180880609900D+00
|
|
70 6.9000000000000D-01 -7.9514924009015D+00
|
|
71 7.0000000000000D-01 -7.8846894571457D+00
|
|
72 7.1000000000000D-01 -7.8177282015810D+00
|
|
73 7.2000000000000D-01 -7.7506561048218D+00
|
|
74 7.3000000000000D-01 -7.6835191115493D+00
|
|
75 7.4000000000000D-01 -7.6163616300855D+00
|
|
76 7.5000000000000D-01 -7.5492265342105D+00
|
|
77 7.6000000000000D-01 -7.4821551752941D+00
|
|
78 7.7000000000000D-01 -7.4151874029306D+00
|
|
79 7.8000000000000D-01 -7.3483615923918D+00
|
|
80 7.9000000000000D-01 -7.2817146773511D+00
|
|
81 8.0000000000000D-01 -7.2152821864675D+00
|
|
82 8.1000000000000D-01 -7.1490982825585D+00
|
|
83 8.2000000000000D-01 -7.0831958032187D+00
|
|
84 8.3000000000000D-01 -7.0176063018737D+00
|
|
85 8.4000000000000D-01 -6.9523600883732D+00
|
|
86 8.5000000000000D-01 -6.8874862683442D+00
|
|
87 8.6000000000000D-01 -6.8230127806297D+00
|
|
88 8.7000000000000D-01 -6.7589664322346D+00
|
|
89 8.8000000000000D-01 -6.6953729302968D+00
|
|
90 8.9000000000000D-01 -6.6322569106829D+00
|
|
91 9.0000000000000D-01 -6.5696419628907D+00
|
|
92 9.1000000000000D-01 -6.5075506510145D+00
|
|
93 9.2000000000000D-01 -6.4460045305982D+00
|
|
94 9.3000000000000D-01 -6.3850241612679D+00
|
|
95 9.4000000000000D-01 -6.3246291150938D+00
|
|
96 9.5000000000000D-01 -6.2648379806892D+00
|
|
97 9.6000000000000D-01 -6.2056683631032D+00
|
|
98 9.7000000000000D-01 -6.1471368796119D+00
|
|
99 9.8000000000000D-01 -6.0892591515529D+00
|
|
100 9.9000000000000D-01 -6.0320497923846D+00
|
|
101 1.0000000000000D+00 -5.9755223921811D+00
|
|
102 1.0100000000000D+00 -5.9196894988015D+00
|
|
103 1.0200000000000D+00 -5.8645625959886D+00
|
|
104 1.0300000000000D+00 -5.8101520786676D+00
|
|
105 1.0400000000000D+00 -5.7564672257236D+00
|
|
106 1.0500000000000D+00 -5.7035161705368D+00
|
|
107 1.0600000000000D+00 -5.6513058695560D+00
|
|
108 1.0700000000000D+00 -5.5998420691782D+00
|
|
109 1.0800000000000D+00 -5.5491292711947D+00
|
|
110 1.0900000000000D+00 -5.4991706970435D+00
|
|
111 1.1000000000000D+00 -5.4499682510918D+00
|
|
112 1.1100000000000D+00 -5.4015224831502D+00
|
|
113 1.1200000000000D+00 -5.3538325503928D+00
|
|
114 1.1300000000000D+00 -5.3068961788370D+00
|
|
115 1.1400000000000D+00 -5.2607096245042D+00
|
|
116 1.1500000000000D+00 -5.2152676343668D+00
|
|
117 1.1600000000000D+00 -5.1705634071518D+00
|
|
118 1.1700000000000D+00 -5.1265885532399D+00
|
|
119 1.1800000000000D+00 -5.0833330540762D+00
|
|
120 1.1900000000000D+00 -5.0407852493168D+00
|
|
121 1.2000000000000D+00 -4.9989317280354D+00
|
|
122 1.2100000000000D+00 -4.9577573376574D+00
|
|
123 1.2200000000000D+00 -4.9172460955153D+00
|
|
124 1.2300000000000D+00 -4.8773820907453D+00
|
|
125 1.2400000000000D+00 -4.8381501055435D+00
|
|
126 1.2500000000000D+00 -4.7995354107953D+00
|
|
127 1.2600000000000D+00 -4.7615237780671D+00
|
|
128 1.2700000000000D+00 -4.7241014554927D+00
|
|
129 1.2800000000000D+00 -4.6872551498238D+00
|
|
130 1.2900000000000D+00 -4.6509720052001D+00
|
|
131 1.3000000000000D+00 -4.6152395837900D+00
|
|
132 1.3100000000000D+00 -4.5800458471300D+00
|
|
133 1.3200000000000D+00 -4.5453791380185D+00
|
|
134 1.3300000000000D+00 -4.5112281631221D+00
|
|
135 1.3400000000000D+00 -4.4775819761022D+00
|
|
136 1.3500000000000D+00 -4.4444299613414D+00
|
|
137 1.3600000000000D+00 -4.4117618169196D+00
|
|
138 1.3700000000000D+00 -4.3795675312486D+00
|
|
139 1.3800000000000D+00 -4.3478373576861D+00
|
|
140 1.3900000000000D+00 -4.3165617841391D+00
|
|
141 1.4000000000000D+00 -4.2857315184685D+00
|
|
142 1.4100000000000D+00 -4.2553374767658D+00
|
|
143 1.4200000000000D+00 -4.2253707767772D+00
|
|
144 1.4300000000000D+00 -4.1958227275081D+00
|
|
145 1.4400000000000D+00 -4.1666848165050D+00
|
|
146 1.4500000000000D+00 -4.1379487013527D+00
|
|
147 1.4600000000000D+00 -4.1096062054964D+00
|
|
148 1.4700000000000D+00 -4.0816493248089D+00
|
|
149 1.4800000000000D+00 -4.0540702389899D+00
|
|
150 1.4900000000000D+00 -4.0268613427736D+00
|
|
151 1.5000000000000D+00 -4.0000152419625D+00
|
|
152 1.5100000000000D+00 -3.9735247325455D+00
|
|
153 1.5200000000000D+00 -3.9473827996416D+00
|
|
154 1.5300000000000D+00 -3.9215826112842D+00
|
|
155 1.5400000000000D+00 -3.8961175120978D+00
|
|
156 1.5500000000000D+00 -3.8709810175487D+00
|
|
157 1.5600000000000D+00 -3.8461668085258D+00
|
|
158 1.5700000000000D+00 -3.8216687261145D+00
|
|
159 1.5800000000000D+00 -3.7974807666111D+00
|
|
160 1.5900000000000D+00 -3.7735970767479D+00
|
|
161 1.6000000000000D+00 -3.7500119491172D+00
|
|
162 1.6100000000000D+00 -3.7267198177744D+00
|
|
163 1.6200000000000D+00 -3.7037152540115D+00
|
|
164 1.6300000000000D+00 -3.6809929622796D+00
|
|
165 1.6400000000000D+00 -3.6585477762589D+00
|
|
166 1.6500000000000D+00 -3.6363746550512D+00
|
|
167 1.6600000000000D+00 -3.6144686795019D+00
|
|
168 1.6700000000000D+00 -3.5928250486056D+00
|
|
169 1.6800000000000D+00 -3.5714390761774D+00
|
|
170 1.6900000000000D+00 -3.5503061873640D+00
|
|
171 1.7000000000000D+00 -3.5294219148715D+00
|
|
172 1.7100000000000D+00 -3.5087818967579D+00
|
|
173 1.7200000000000D+00 -3.4883818743932D+00
|
|
174 1.7300000000000D+00 -3.4682176883444D+00
|
|
175 1.7400000000000D+00 -3.4482852753023D+00
|
|
176 1.7500000000000D+00 -3.4285806644558D+00
|
|
177 1.7600000000000D+00 -3.4090999729031D+00
|
|
178 1.7700000000000D+00 -3.3898394045695D+00
|
|
179 1.7800000000000D+00 -3.3707952494035D+00
|
|
180 1.7900000000000D+00 -3.3519638804655D+00
|
|
181 1.8000000000000D+00 -3.3333417512648D+00
|
|
182 1.8100000000000D+00 -3.3149253936576D+00
|
|
183 1.8200000000000D+00 -3.2967114157463D+00
|
|
184 1.8300000000000D+00 -3.2786964997753D+00
|
|
185 1.8400000000000D+00 -3.2608774001160D+00
|
|
186 1.8500000000000D+00 -3.2432509413180D+00
|
|
187 1.8600000000000D+00 -3.2258140162219D+00
|
|
188 1.8700000000000D+00 -3.2085635841333D+00
|
|
189 1.8800000000000D+00 -3.1914966690550D+00
|
|
190 1.8900000000000D+00 -3.1746103579757D+00
|
|
191 1.9000000000000D+00 -3.1579017992118D+00
|
|
192 1.9100000000000D+00 -3.1413682008023D+00
|
|
193 1.9200000000000D+00 -3.1250068289533D+00
|
|
194 1.9300000000000D+00 -3.1088150065311D+00
|
|
195 1.9400000000000D+00 -3.0927901116018D+00
|
|
196 1.9500000000000D+00 -3.0769295760156D+00
|
|
197 1.9600000000000D+00 -3.0612308840353D+00
|
|
198 1.9700000000000D+00 -3.0456915710053D+00
|
|
199 1.9800000000000D+00 -3.0303092220622D+00
|
|
200 1.9900000000000D+00 -3.0150814708834D+00
|
|
201 2.0000000000000D+00 -3.0000059984734D+00
|
|
202 2.0100000000000D+00 -2.9850805319869D+00
|
|
203 2.0200000000000D+00 -2.9703028435861D+00
|
|
204 2.0300000000000D+00 -2.9556707493321D+00
|
|
205 2.0400000000000D+00 -2.9411821081092D+00
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557 5.5600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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558 5.5700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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559 5.5800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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560 5.5900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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599 5.9800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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600 5.9900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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2 -4.5067540149759D-04 2.3197950962980D-04
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4 3.0000000000000D-02 -3.8662137691082D-03 2.8133655866180D-04
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32 3.1000000000000D-01 -6.5634992327847D-01 2.9119554528673D-01
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35 3.4000000000000D-01 -5.0445633759674D-01 3.7155878852253D-01
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36 3.5000000000000D-01 -4.4237320623626D-01 4.0017332876716D-01
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37 3.6000000000000D-01 -3.7665378207437D-01 4.2958473193327D-01
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38 3.7000000000000D-01 -3.0875870562096D-01 4.5971576979861D-01
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39 3.8000000000000D-01 -2.4024463059094D-01 4.9048543126766D-01
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289 2.8800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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290 2.8900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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293 2.9200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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295 2.9400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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296 2.9500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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298 2.9700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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299 2.9800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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300 2.9900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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301 3.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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305 3.0400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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306 3.0500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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310 3.0900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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311 3.1000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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312 3.1100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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313 3.1200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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314 3.1300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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315 3.1400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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316 3.1500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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317 3.1600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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318 3.1700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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319 3.1800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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320 3.1900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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321 3.2000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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322 3.2100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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323 3.2200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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324 3.2300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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325 3.2400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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326 3.2500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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327 3.2600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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328 3.2700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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329 3.2800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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330 3.2900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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331 3.3000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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332 3.3100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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333 3.3200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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334 3.3300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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335 3.3400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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336 3.3500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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337 3.3600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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338 3.3700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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339 3.3800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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340 3.3900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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341 3.4000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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342 3.4100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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343 3.4200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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344 3.4300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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345 3.4400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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346 3.4500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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347 3.4600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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348 3.4700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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349 3.4800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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350 3.4900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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351 3.5000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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352 3.5100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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353 3.5200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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354 3.5300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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355 3.5400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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356 3.5500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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357 3.5600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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358 3.5700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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359 3.5800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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360 3.5900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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495 4.9400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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497 4.9600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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498 4.9700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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499 4.9800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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500 4.9900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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503 5.0200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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505 5.0400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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506 5.0500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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507 5.0600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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508 5.0700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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509 5.0800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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510 5.0900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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511 5.1000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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512 5.1100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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513 5.1200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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514 5.1300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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515 5.1400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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516 5.1500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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517 5.1600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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437 4.3600000000000D+00 1.1764325598544D-03 1.1764777764783D-03 0.0000000000000D+00
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439 4.3800000000000D+00 1.1272455116707D-03 1.1272891273406D-03 0.0000000000000D+00
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440 4.3900000000000D+00 1.1034473477648D-03 1.1034901846843D-03 0.0000000000000D+00
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441 4.4000000000000D+00 1.0801637321291D-03 1.0802058044244D-03 0.0000000000000D+00
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442 4.4100000000000D+00 1.0573832328223D-03 1.0574245543575D-03 0.0000000000000D+00
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445 4.4400000000000D+00 9.9195000463841D-04 9.9198915453097D-04 0.0000000000000D+00
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448 4.4700000000000D+00 9.3065772068606D-04 9.3069481474560D-04 0.0000000000000D+00
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450 4.4900000000000D+00 8.9196322099483D-04 8.9199900570857D-04 0.0000000000000D+00
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475 4.7400000000000D+00 5.2640765505963D-04 5.2643052519992D-04 0.0000000000000D+00
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476 4.7500000000000D+00 5.1548615369301D-04 5.1550861913042D-04 0.0000000000000D+00
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478 4.7700000000000D+00 4.9433225606667D-04 4.9435393370103D-04 0.0000000000000D+00
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480 4.7900000000000D+00 4.7406425518034D-04 4.7408517294819D-04 0.0000000000000D+00
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481 4.8000000000000D+00 4.6425053478806D-04 4.6427108278277D-04 0.0000000000000D+00
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483 4.8200000000000D+00 4.4524071356460D-04 4.4526054172152D-04 0.0000000000000D+00
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484 4.8300000000000D+00 4.3603574117215D-04 4.3605521902654D-04 0.0000000000000D+00
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485 4.8400000000000D+00 4.2702497698263D-04 4.2704411079049D-04 0.0000000000000D+00
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486 4.8500000000000D+00 4.1820422751569D-04 4.1822302341952D-04 0.0000000000000D+00
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487 4.8600000000000D+00 4.0956939223396D-04 4.0958785626487D-04 0.0000000000000D+00
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488 4.8700000000000D+00 4.0111646145359D-04 4.0113459953339D-04 0.0000000000000D+00
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489 4.8800000000000D+00 3.9284151430523D-04 3.9285933224843D-04 0.0000000000000D+00
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490 4.8900000000000D+00 3.8474071663329D-04 3.8475822014908D-04 0.0000000000000D+00
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491 4.9000000000000D+00 3.7681031904850D-04 3.7682751374273D-04 0.0000000000000D+00
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492 4.9100000000000D+00 3.6904665499818D-04 3.6906354637525D-04 0.0000000000000D+00
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493 4.9200000000000D+00 3.6144613885645D-04 3.6146273232119D-04 0.0000000000000D+00
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494 4.9300000000000D+00 3.5400526414784D-04 3.5402156500736D-04 0.0000000000000D+00
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495 4.9400000000000D+00 3.4672060173189D-04 3.4673661519737D-04 0.0000000000000D+00
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496 4.9500000000000D+00 3.3958879800941D-04 3.3960452919788D-04 0.0000000000000D+00
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497 4.9600000000000D+00 3.3260657322822D-04 3.3262202716429D-04 0.0000000000000D+00
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498 4.9700000000000D+00 3.2577071980964D-04 3.2578590142722D-04 0.0000000000000D+00
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499 4.9800000000000D+00 3.1907810068633D-04 3.1909301483027D-04 0.0000000000000D+00
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500 4.9900000000000D+00 3.1252564778320D-04 3.1254029921097D-04 0.0000000000000D+00
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501 5.0000000000000D+00 3.0611036041370D-04 3.0612475379698D-04 0.0000000000000D+00
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502 5.0100000000000D+00 2.9982930373931D-04 2.9984344366555D-04 0.0000000000000D+00
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503 5.0200000000000D+00 2.9367960729628D-04 2.9369349827028D-04 0.0000000000000D+00
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504 5.0300000000000D+00 2.8765846354333D-04 2.8767210998873D-04 0.0000000000000D+00
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505 5.0400000000000D+00 2.8176312641601D-04 2.8177653267681D-04 0.0000000000000D+00
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506 5.0500000000000D+00 2.7599091001783D-04 2.7600408035983D-04 0.0000000000000D+00
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507 5.0600000000000D+00 2.7033918721724D-04 2.7035212582949D-04 0.0000000000000D+00
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508 5.0700000000000D+00 2.6480538831438D-04 2.6481809931058D-04 0.0000000000000D+00
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509 5.0800000000000D+00 2.5938699976132D-04 2.5939948718119D-04 0.0000000000000D+00
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510 5.0900000000000D+00 2.5408156290077D-04 2.5409383071144D-04 0.0000000000000D+00
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511 5.1000000000000D+00 2.4888667271022D-04 2.4889872480750D-04 0.0000000000000D+00
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512 5.1100000000000D+00 2.4379997666342D-04 2.4381181687317D-04 0.0000000000000D+00
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513 5.1200000000000D+00 2.3881917351780D-04 2.3883080559717D-04 0.0000000000000D+00
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514 5.1300000000000D+00 2.3394201214933D-04 2.3395343978804D-04 0.0000000000000D+00
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515 5.1400000000000D+00 2.2916629044266D-04 2.2917751726420D-04 0.0000000000000D+00
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516 5.1500000000000D+00 2.2448985419487D-04 2.2450088375774D-04 0.0000000000000D+00
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517 5.1600000000000D+00 2.1991059602623D-04 2.1992143182511D-04 0.0000000000000D+00
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518 5.1700000000000D+00 2.1542645437854D-04 2.1543709984547D-04 0.0000000000000D+00
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519 5.1800000000000D+00 2.1103541248282D-04 2.1104587098834D-04 0.0000000000000D+00
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520 5.1900000000000D+00 2.0673549732972D-04 2.0674577218397D-04 0.0000000000000D+00
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521 5.2000000000000D+00 2.0252477870878D-04 2.0253487316260D-04 0.0000000000000D+00
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522 5.2100000000000D+00 1.9840136825505D-04 1.9841128550112D-04 0.0000000000000D+00
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523 5.2200000000000D+00 1.9436341850640D-04 1.9437316168022D-04 0.0000000000000D+00
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524 5.2300000000000D+00 1.9040912201054D-04 1.9041869419150D-04 0.0000000000000D+00
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525 5.2400000000000D+00 1.8653671046304D-04 1.8654611467548D-04 0.0000000000000D+00
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526 5.2500000000000D+00 1.8274445378607D-04 1.8275369300022D-04 0.0000000000000D+00
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527 5.2600000000000D+00 1.7903065929883D-04 1.7903973643182D-04 0.0000000000000D+00
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528 5.2700000000000D+00 1.7539367088787D-04 1.7540258880471D-04 0.0000000000000D+00
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529 5.2800000000000D+00 1.7183186819354D-04 1.7184062970803D-04 0.0000000000000D+00
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530 5.2900000000000D+00 1.6834366580222D-04 1.6835227367792D-04 0.0000000000000D+00
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531 5.3000000000000D+00 1.6492751254456D-04 1.6493596949567D-04 0.0000000000000D+00
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532 5.3100000000000D+00 1.6158189066030D-04 1.6159019935258D-04 0.0000000000000D+00
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533 5.3200000000000D+00 1.5830531508413D-04 1.5831347813576D-04 0.0000000000000D+00
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534 5.3300000000000D+00 1.5509633272315D-04 1.5510435270559D-04 0.0000000000000D+00
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535 5.3400000000000D+00 1.5195352175097D-04 1.5196140118982D-04 0.0000000000000D+00
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536 5.3500000000000D+00 1.4887549089738D-04 1.4888323227320D-04 0.0000000000000D+00
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537 5.3600000000000D+00 1.4586087883353D-04 1.4586848458267D-04 0.0000000000000D+00
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538 5.3700000000000D+00 1.4290835346761D-04 1.4291582598298D-04 0.0000000000000D+00
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539 5.3800000000000D+00 1.4001661130092D-04 1.4002395293282D-04 0.0000000000000D+00
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540 5.3900000000000D+00 1.3718437680453D-04 1.3719158986137D-04 0.0000000000000D+00
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541 5.4000000000000D+00 1.3441040180397D-04 1.3441748855307D-04 0.0000000000000D+00
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542 5.4100000000000D+00 1.3169346486914D-04 1.3170042753745D-04 0.0000000000000D+00
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543 5.4200000000000D+00 1.2903237073940D-04 1.2903921151422D-04 0.0000000000000D+00
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544 5.4300000000000D+00 1.2642594977145D-04 1.2643267080118D-04 0.0000000000000D+00
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545 5.4400000000000D+00 1.2387305733604D-04 1.2387966073084D-04 0.0000000000000D+00
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546 5.4500000000000D+00 1.2137257328472D-04 1.2137906111723D-04 0.0000000000000D+00
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547 5.4600000000000D+00 1.1892340141333D-04 1.1892977571934D-04 0.0000000000000D+00
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548 5.4700000000000D+00 1.1652446893767D-04 1.1653073171678D-04 0.0000000000000D+00
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549 5.4800000000000D+00 1.1417472596140D-04 1.1418087917766D-04 0.0000000000000D+00
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550 5.4900000000000D+00 1.1187314503492D-04 1.1187919061750D-04 0.0000000000000D+00
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551 5.5000000000000D+00 1.0961872061245D-04 1.0962466045624D-04 0.0000000000000D+00
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552 5.5100000000000D+00 1.0741046858314D-04 1.0741630454938D-04 0.0000000000000D+00
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553 5.5200000000000D+00 1.0524742580588D-04 1.0525315972276D-04 0.0000000000000D+00
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554 5.5300000000000D+00 1.0312864965171D-04 1.0313428331497D-04 0.0000000000000D+00
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555 5.5400000000000D+00 1.0105321755014D-04 1.0105875272366D-04 0.0000000000000D+00
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556 5.5500000000000D+00 9.9020226558080D-05 9.9025664974431D-05 0.0000000000000D+00
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557 5.5600000000000D+00 9.7028792958287D-05 9.7034136319309D-05 0.0000000000000D+00
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558 5.5700000000000D+00 9.5078051801432D-05 9.5083301778783D-05 0.0000000000000D+00
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559 5.5800000000000D+00 9.3167156511839D-05 9.3172314747536D-05 0.0000000000000D+00
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560 5.5900000000000D+00 9.1295278487960D-05 9.1300346594913D-05 0.0000000000000D+00
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561 5.6000000000000D+00 8.9461606711853D-05 8.9466586274384D-05 0.0000000000000D+00
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562 5.6100000000000D+00 8.7665347354602D-05 8.7670239928960D-05 0.0000000000000D+00
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563 5.6200000000000D+00 8.5905723437233D-05 8.5910530552097D-05 0.0000000000000D+00
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564 5.6300000000000D+00 8.4181974446173D-05 8.4186697603145D-05 0.0000000000000D+00
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565 5.6400000000000D+00 8.2493355967892D-05 8.2497996641983D-05 0.0000000000000D+00
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566 5.6500000000000D+00 8.0839139346433D-05 8.0843698986541D-05 0.0000000000000D+00
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567 5.6600000000000D+00 7.9218611342196D-05 7.9223091371571D-05 0.0000000000000D+00
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568 5.6700000000000D+00 7.7631073798354D-05 7.7635475615058D-05 0.0000000000000D+00
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569 5.6800000000000D+00 7.6075843298201D-05 7.6080168275558D-05 0.0000000000000D+00
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570 5.6900000000000D+00 7.4552250897659D-05 7.4556500384699D-05 0.0000000000000D+00
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571 5.7000000000000D+00 7.3059641764562D-05 7.3063817086456D-05 0.0000000000000D+00
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572 5.7100000000000D+00 7.1597374886361D-05 7.1601477344845D-05 0.0000000000000D+00
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573 5.7200000000000D+00 7.0164822772922D-05 7.0168853646718D-05 0.0000000000000D+00
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574 5.7300000000000D+00 6.8761371164880D-05 6.8765331710107D-05 0.0000000000000D+00
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575 5.7400000000000D+00 6.7386418746282D-05 6.7390310196859D-05 0.0000000000000D+00
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576 5.7500000000000D+00 6.6039376858655D-05 6.6043200426698D-05 0.0000000000000D+00
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577 5.7600000000000D+00 6.4719669266157D-05 6.4723426142368D-05 0.0000000000000D+00
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578 5.7700000000000D+00 6.3426731846348D-05 6.3430423200397D-05 0.0000000000000D+00
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579 5.7800000000000D+00 6.2160012343244D-05 6.2163639324147D-05 0.0000000000000D+00
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580 5.7900000000000D+00 6.0918970112189D-05 6.0922533848671D-05 0.0000000000000D+00
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581 5.8000000000000D+00 5.9703075870385D-05 5.9706577471247D-05 0.0000000000000D+00
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582 5.8100000000000D+00 5.8511811449217D-05 5.8515252003687D-05 0.0000000000000D+00
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583 5.8200000000000D+00 5.7344669556264D-05 5.7348050134351D-05 0.0000000000000D+00
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584 5.8300000000000D+00 5.6201153566071D-05 5.6204475218903D-05 0.0000000000000D+00
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585 5.8400000000000D+00 5.5080777259765D-05 5.5084041019927D-05 0.0000000000000D+00
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586 5.8500000000000D+00 5.3983064612991D-05 5.3986271494855D-05 0.0000000000000D+00
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587 5.8600000000000D+00 5.2907549577552D-05 5.2910700577602D-05 0.0000000000000D+00
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588 5.8700000000000D+00 5.1853775867877D-05 5.1856871965028D-05 0.0000000000000D+00
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589 5.8800000000000D+00 5.0821296748342D-05 5.0824338904250D-05 0.0000000000000D+00
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590 5.8900000000000D+00 4.9809674831312D-05 4.9812663990683D-05 0.0000000000000D+00
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591 5.9000000000000D+00 4.8818481896793D-05 4.8821418987684D-05 0.0000000000000D+00
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592 5.9100000000000D+00 4.7847298669255D-05 4.7850184603370D-05 0.0000000000000D+00
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593 5.9200000000000D+00 4.6895714636307D-05 4.6898550309289D-05 0.0000000000000D+00
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594 5.9300000000000D+00 4.5963327861681D-05 4.5966114153398D-05 0.0000000000000D+00
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595 5.9400000000000D+00 4.5049744802340D-05 4.5052482577160D-05 0.0000000000000D+00
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596 5.9500000000000D+00 4.4154580126720D-05 4.4157270233792D-05 0.0000000000000D+00
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597 5.9600000000000D+00 4.3277456539073D-05 4.3280099812597D-05 0.0000000000000D+00
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|
598 5.9700000000000D+00 4.2418004630268D-05 4.2420601889756D-05 0.0000000000000D+00
|
|
599 5.9800000000000D+00 4.1575862682214D-05 4.1578414732756D-05 0.0000000000000D+00
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600 5.9900000000000D+00 4.0750676513725D-05 4.0753184146242D-05 0.0000000000000D+00
|
|
<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
|
|
O 8.00 1 2 -1012 psp8
|
|
#
|
|
# n l f energy (Ha)
|
|
1 0 2.00
|
|
2 0 2.00
|
|
2 1 4.00
|
|
#
|
|
# PSEUDOPOTENTIAL AND OPTIMIZATION
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|
# lmax
|
|
2
|
|
#
|
|
# l, rc, ep, ncon, nbas, qcut
|
|
0 1.35000 -0.87290 4 8 8.40000
|
|
1 1.45000 -0.33753 4 8 9.30000
|
|
2 1.35000 0.10000 4 8 6.00000
|
|
#
|
|
# LOCAL POTENTIAL
|
|
# lloc, lpopt, rc(5), dvloc0
|
|
4 5 1.20000 0.00000
|
|
#
|
|
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
|
|
# l, nproj, debl
|
|
0 2 1.00000
|
|
1 2 0.99955
|
|
2 1 1.00000
|
|
#
|
|
# MODEL CORE CHARGE
|
|
# icmod, fcfact, rcfact
|
|
3 4.00000 1.50000
|
|
#
|
|
# 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>
|
|
|