mirror of https://github.com/abinit/abinit.git
4875 lines
441 KiB
Plaintext
4875 lines
441 KiB
Plaintext
As ONCVPSP-3.3.0 r_core= 1.85233 1.80867 2.40819
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33.0000 5.0000 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 8.00000000 0.00000000 rchrg fchrg qchrg
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2 3 3 0 nproj
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3 1 extension_switch
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4 4 0 nprojso
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445 4.4400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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446 4.4500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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447 4.4600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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448 4.4700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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449 4.4800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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450 4.4900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
451 4.5000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
452 4.5100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
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453 4.5200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
454 4.5300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
455 4.5400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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|
456 4.5500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
457 4.5600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
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458 4.5700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
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459 4.5800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
460 4.5900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
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461 4.6000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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462 4.6100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
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463 4.6200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
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464 4.6300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
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465 4.6400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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466 4.6500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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467 4.6600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
468 4.6700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
469 4.6800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
470 4.6900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
471 4.7000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
472 4.7100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
473 4.7200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
474 4.7300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
475 4.7400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
476 4.7500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
477 4.7600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
478 4.7700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
479 4.7800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
480 4.7900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
481 4.8000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
482 4.8100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
483 4.8200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
484 4.8300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
485 4.8400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
486 4.8500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
487 4.8600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
488 4.8700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
489 4.8800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
490 4.8900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
491 4.9000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
492 4.9100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
493 4.9200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
494 4.9300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
495 4.9400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
496 4.9500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
497 4.9600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
498 4.9700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
499 4.9800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
500 4.9900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
501 5.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
502 5.0100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
503 5.0200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
504 5.0300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
505 5.0400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
506 5.0500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
507 5.0600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
508 5.0700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
509 5.0800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
510 5.0900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
511 5.1000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
512 5.1100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
513 5.1200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
514 5.1300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
515 5.1400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
516 5.1500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
517 5.1600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
518 5.1700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
519 5.1800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
520 5.1900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
521 5.2000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
522 5.2100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
523 5.2200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
524 5.2300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
525 5.2400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
526 5.2500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
527 5.2600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
528 5.2700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
529 5.2800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
530 5.2900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
531 5.3000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
532 5.3100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
533 5.3200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
534 5.3300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
535 5.3400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
536 5.3500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
537 5.3600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
538 5.3700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
539 5.3800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
540 5.3900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
541 5.4000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
542 5.4100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
543 5.4200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
544 5.4300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
545 5.4400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
546 5.4500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
547 5.4600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
548 5.4700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
549 5.4800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
550 5.4900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
551 5.5000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
552 5.5100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
553 5.5200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
554 5.5300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
555 5.5400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
556 5.5500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
557 5.5600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
558 5.5700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
559 5.5800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
560 5.5900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
561 5.6000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
562 5.6100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
563 5.6200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
564 5.6300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
565 5.6400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
566 5.6500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
567 5.6600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
568 5.6700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
569 5.6800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
570 5.6900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
571 5.7000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
572 5.7100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
573 5.7200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
574 5.7300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
575 5.7400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
576 5.7500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
577 5.7600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
578 5.7700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
579 5.7800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
580 5.7900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
581 5.8000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
582 5.8100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
583 5.8200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
584 5.8300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
585 5.8400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
586 5.8500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
587 5.8600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
588 5.8700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
589 5.8800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
590 5.8900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
591 5.9000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
592 5.9100000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
593 5.9200000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
594 5.9300000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
595 5.9400000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
596 5.9500000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
597 5.9600000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
598 5.9700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
599 5.9800000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
600 5.9900000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
4
|
|
1 0.0000000000000D+00 -7.3433507685054D+00
|
|
2 1.0000000000000D-02 -7.3430275931183D+00
|
|
3 2.0000000000000D-02 -7.3420581877579D+00
|
|
4 3.0000000000000D-02 -7.3404429206082D+00
|
|
5 4.0000000000000D-02 -7.3381824041908D+00
|
|
6 5.0000000000000D-02 -7.3352774946164D+00
|
|
7 6.0000000000000D-02 -7.3317292903682D+00
|
|
8 7.0000000000000D-02 -7.3275391306875D+00
|
|
9 8.0000000000000D-02 -7.3227085936292D+00
|
|
10 9.0000000000000D-02 -7.3172394938126D+00
|
|
11 1.0000000000000D-01 -7.3111338798937D+00
|
|
12 1.1000000000000D-01 -7.3043940317816D+00
|
|
13 1.2000000000000D-01 -7.2970224576299D+00
|
|
14 1.3000000000000D-01 -7.2890218906282D+00
|
|
15 1.4000000000000D-01 -7.2803952856192D+00
|
|
16 1.5000000000000D-01 -7.2711458155729D+00
|
|
17 1.6000000000000D-01 -7.2612768679401D+00
|
|
18 1.7000000000000D-01 -7.2507920409097D+00
|
|
19 1.8000000000000D-01 -7.2396951395932D+00
|
|
20 1.9000000000000D-01 -7.2279901721552D+00
|
|
21 2.0000000000000D-01 -7.2156813459051D+00
|
|
22 2.1000000000000D-01 -7.2027730633671D+00
|
|
23 2.2000000000000D-01 -7.1892699183375D+00
|
|
24 2.3000000000000D-01 -7.1751766919339D+00
|
|
25 2.4000000000000D-01 -7.1604983486492D+00
|
|
26 2.5000000000000D-01 -7.1452400324033D+00
|
|
27 2.6000000000000D-01 -7.1294070625999D+00
|
|
28 2.7000000000000D-01 -7.1130049301766D+00
|
|
29 2.8000000000000D-01 -7.0960392936551D+00
|
|
30 2.9000000000000D-01 -7.0785159751753D+00
|
|
31 3.0000000000000D-01 -7.0604409565114D+00
|
|
32 3.1000000000000D-01 -7.0418203750630D+00
|
|
33 3.2000000000000D-01 -7.0226605198088D+00
|
|
34 3.3000000000000D-01 -7.0029678272223D+00
|
|
35 3.4000000000000D-01 -6.9827488771393D+00
|
|
36 3.5000000000000D-01 -6.9620103885733D+00
|
|
37 3.6000000000000D-01 -6.9407592154750D+00
|
|
38 3.7000000000000D-01 -6.9190023424368D+00
|
|
39 3.8000000000000D-01 -6.8967468803419D+00
|
|
40 3.9000000000000D-01 -6.8740000619639D+00
|
|
41 4.0000000000000D-01 -6.8507692375203D+00
|
|
42 4.1000000000000D-01 -6.8270618701931D+00
|
|
43 4.2000000000000D-01 -6.8028855316262D+00
|
|
44 4.3000000000000D-01 -6.7782478974155D+00
|
|
45 4.4000000000000D-01 -6.7531567426112D+00
|
|
46 4.5000000000000D-01 -6.7276199372470D+00
|
|
47 4.6000000000000D-01 -6.7016454419258D+00
|
|
48 4.7000000000000D-01 -6.6752413034777D+00
|
|
49 4.8000000000000D-01 -6.6484156507229D+00
|
|
50 4.9000000000000D-01 -6.6211766903577D+00
|
|
51 5.0000000000000D-01 -6.5935327029995D+00
|
|
52 5.1000000000000D-01 -6.5654920394056D+00
|
|
53 5.2000000000000D-01 -6.5370631169017D+00
|
|
54 5.3000000000000D-01 -6.5082544160357D+00
|
|
55 5.4000000000000D-01 -6.4790744774869D+00
|
|
56 5.5000000000000D-01 -6.4495318992411D+00
|
|
57 5.6000000000000D-01 -6.4196353340600D+00
|
|
58 5.7000000000000D-01 -6.3893934872459D+00
|
|
59 5.8000000000000D-01 -6.3588151147201D+00
|
|
60 5.9000000000000D-01 -6.3279090214208D+00
|
|
61 6.0000000000000D-01 -6.2966840600096D+00
|
|
62 6.1000000000000D-01 -6.2651491299013D+00
|
|
63 6.2000000000000D-01 -6.2333131765894D+00
|
|
64 6.3000000000000D-01 -6.2011851912639D+00
|
|
65 6.4000000000000D-01 -6.1687742107036D+00
|
|
66 6.5000000000000D-01 -6.1360893174039D+00
|
|
67 6.6000000000000D-01 -6.1031396399385D+00
|
|
68 6.7000000000000D-01 -6.0699343534839D+00
|
|
69 6.8000000000000D-01 -6.0364826805070D+00
|
|
70 6.9000000000000D-01 -6.0027938915520D+00
|
|
71 7.0000000000000D-01 -5.9688773060783D+00
|
|
72 7.1000000000000D-01 -5.9347422933245D+00
|
|
73 7.2000000000000D-01 -5.9003982731295D+00
|
|
74 7.3000000000000D-01 -5.8658547166642D+00
|
|
75 7.4000000000000D-01 -5.8311211470311D+00
|
|
76 7.5000000000000D-01 -5.7962071396761D+00
|
|
77 7.6000000000000D-01 -5.7611223225653D+00
|
|
78 7.7000000000000D-01 -5.7258763760595D+00
|
|
79 7.8000000000000D-01 -5.6904790325168D+00
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299 2.9800000000000D+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
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314 3.1300000000000D+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
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316 3.1500000000000D+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
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318 3.1700000000000D+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
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320 3.1900000000000D+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
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322 3.2100000000000D+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
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324 3.2300000000000D+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
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326 3.2500000000000D+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
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328 3.2700000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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80 7.9000000000000D-01 3.8591434632444D+00 -8.3397172667880D+00 6.2251472828672D+00 3.2185822380074D+01 -1.0333885254655D+02
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81 8.0000000000000D-01 3.7760628690665D+00 -8.2758737859600D+00 6.5418146807082D+00 3.1145328381738D+01 -1.0473573165384D+02
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82 8.1000000000000D-01 3.6936363690806D+00 -8.2089158826990D+00 6.8480097041863D+00 3.0091590132310D+01 -1.0598789291051D+02
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83 8.2000000000000D-01 3.6118945817459D+00 -8.1389489187594D+00 7.1436071414989D+00 2.9026049402466D+01 -1.0709640095777D+02
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84 8.3000000000000D-01 3.5308670658823D+00 -8.0660794362931D+00 7.4284961286674D+00 2.7950139235251D+01 -1.0806178740803D+02
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85 8.4000000000000D-01 3.4505823095841D+00 -7.9904150144039D+00 7.7025801251648D+00 2.6865288510990D+01 -1.0888471387623D+02
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86 8.5000000000000D-01 3.3710677205651D+00 -7.9120641263386D+00 7.9657768283894D+00 2.5772916262252D+01 -1.0956626065810D+02
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87 8.6000000000000D-01 3.2923496179276D+00 -7.8311359975865D+00 8.2180180738245D+00 2.4674430607032D+01 -1.1010762205627D+02
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88 8.7000000000000D-01 3.2144532253449D+00 -7.7477404650878D+00 8.4592497140737D+00 2.3571226496358D+01 -1.1051018264240D+02
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89 8.8000000000000D-01 3.1374026656457D+00 -7.6619878377536D+00 8.6894314777584D+00 2.2464684074309D+01 -1.1077561723303D+02
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90 8.9000000000000D-01 3.0612209567850D+00 -7.5739887584599D+00 8.9085368108524D+00 2.1356165553401D+01 -1.1090564775003D+02
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91 9.0000000000000D-01 2.9859300091877D+00 -7.4838540679335D+00 9.1165526882020D+00 2.0247016062634D+01 -1.1090217419688D+02
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92 9.1000000000000D-01 2.9115506244447D+00 -7.3916946700025D+00 9.3134794426946D+00 1.9138559324945D+01 -1.1076754934079D+02
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93 9.2000000000000D-01 2.8381024953434D+00 -7.2976213994611D+00 9.4993305190225D+00 1.8032094684040D+01 -1.1050406213829D+02
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94 9.3000000000000D-01 2.7656042072104D+00 -7.2017448922412D+00 9.6741322383087D+00 1.6928899920559D+01 -1.1011399318513D+02
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95 9.4000000000000D-01 2.6940732405427D+00 -7.1041754573103D+00 9.8379235948854D+00 1.5830227554789D+01 -1.0960012901317D+02
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96 9.5000000000000D-01 2.6235259749041D+00 -7.0050229517381D+00 9.9907559441814D+00 1.4737300521881D+01 -1.0896532094793D+02
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97 9.6000000000000D-01 2.5539776940585D+00 -6.9043966582577D+00 1.0132692746172D+01 1.3651314780392D+01 -1.0821241117052D+02
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98 9.7000000000000D-01 2.4854425923133D+00 -6.8024051657299D+00 1.0263809265422D+01 1.2573435634376D+01 -1.0734451583077D+02
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99 9.8000000000000D-01 2.4179337820436D+00 -6.6991562526201D+00 1.0384192264543D+01 1.1504797082851D+01 -1.0636483560586D+02
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100 9.9000000000000D-01 2.3514633023657D+00 -6.5947567736050D+00 1.0493939684049D+01 1.0446500473628D+01 -1.0527669397945D+02
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101 1.0000000000000D+00 2.2860421289281D+00 -6.4893125494488D+00 1.0593160309353D+01 9.3996132698147D+00 -1.0408353651966D+02
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102 1.0100000000000D+00 2.2216801847877D+00 -6.3829282602673D+00 1.0681973426621D+01 8.3651679889492D+00 -1.0278890864860D+02
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103 1.0200000000000D+00 2.1583863523347D+00 -6.2757073422835D+00 1.0760508468300D+01 7.3441611924770D+00 -1.0139645500286D+02
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104 1.0300000000000D+00 2.0961684862338D+00 -6.1677518881793D+00 1.0828904648553D+01 6.3375525262337D+00 -9.9909912780453D+01
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105 1.0400000000000D+00 2.0350334273415D+00 -6.0591625511395D+00 1.0887310589812D+01 5.3462638363064D+00 -9.8333103491690D+01
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106 1.0500000000000D+00 1.9749870175660D+00 -5.9500384526713D+00 1.0935883940560D+01 4.3711783772292D+00 -9.6669920722817D+01
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107 1.0600000000000D+00 1.9160341156281D+00 -5.8404770942871D+00 1.0974790986027D+01 3.4131401412960D+00 -9.4924323500839D+01
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108 1.0700000000000D+00 1.8581786136870D+00 -5.7305742731100D+00 1.1004206252417D+01 2.4729532269302D+00 -9.3100331723645D+01
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109 1.0800000000000D+00 1.8014234547892D+00 -5.6204240014674D+00 1.1024312105060D+01 1.5513812516296D+00 -9.1202018389371D+01
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110 1.0900000000000D+00 1.7457706511017D+00 -5.5101184305337D+00 1.1035298340954D+01 6.4914689455783D-01 -8.9233495864361D+01
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111 1.1000000000000D+00 1.6912213028885D+00 -5.3997477780664D+00 1.1037361777768D+01 -2.3306845690790D-01 -8.7198910952184D+01
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114 1.1300000000000D+00 1.5341917330132D+00 -5.0691171060686D+00 1.0992080053819D+01 -2.7534122929828D+00 -8.0740630559361D+01
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115 1.1400000000000D+00 1.4840496735937D+00 -4.9593473394764D+00 1.0960546317682D+01 -3.5495733018285D+00 -7.8483709402086D+01
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119 1.1800000000000D+00 1.2943981803384D+00 -4.5245776226174D+00 1.0758253077112D+01 -6.5021491778560D+00 -6.9047218170337D+01
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120 1.1900000000000D+00 1.2496892045019D+00 -4.4173316058182D+00 1.0689819789199D+01 -7.1804408010194D+00 -6.6606711656532D+01
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128 1.2700000000000D+00 9.2979046407345D-01 -3.5903833154116D+00 9.9234844593873D+00 -1.1709934411476D+01 -4.6538778211451D+01
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133 1.3200000000000D+00 7.6242023249813D-01 -3.1097506070596D+00 9.2850449443202D+00 -1.3723711817802D+01 -3.4073490781675D+01
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152 1.5100000000000D+00 3.2210976201846D-01 -1.6195998091930D+00 6.3247585837943D+00 -1.6175390596224D+01 5.5562053865061D+00
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153 1.5200000000000D+00 3.0622730840429D-01 -1.5571600003019D+00 6.1633090415634D+00 -1.6111886986961D+01 7.1346961561160D+00
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154 1.5300000000000D+00 2.9096119163938D-01 -1.4963312510319D+00 6.0025724752616D+00 -1.6032894132218D+01 8.6539538594261D+00
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174 1.7300000000000D+00 9.1289631863056D-02 -5.9661626756191D-01 3.1274711522635D+00 -1.2124317279207D+01 2.6536477207751D+01
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600 5.9900000000000D+00 1.0749794798073D-03 1.0749707781481D-03 4.9062396987517D-09
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<INPUT>
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#
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#ONCVPSP (Optimized Norm-Conservinng Vanderbilt PSeudopotential)
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#relativistic version 3.3.0 09/16/2017
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#
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#While it is not required under the terms of the GNU GPL, it is
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#suggested that you cite D. R. Hamann, Phys. Rev. B 88, 085117 (2013)
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#in any publication utilizing these pseudopotentials.
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#
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#Echo of input data for oncvpsp-3.3.0
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# ATOM AND REFERENCE CONFIGURATION
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# atsym z nc nv iexc psfile
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As 33.00 6 2 4 psp8
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#
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# n l f energy (Ha)
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1 0 2.00
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2 0 2.00
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2 1 6.00
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3 0 2.00
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3 1 6.00
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3 2 10.00
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4 0 2.00
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4 1 3.00
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#
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# PSEUDOPOTENTIAL AND OPTIMIZATION
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# lmax
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2
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#
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# l, rc, ep, ncon, nbas, qcut
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0 1.85000 -0.53252 4 9 5.30000
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1 1.80000 -0.18765 4 7 5.80000
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2 2.40000 0.10000 4 7 4.20000
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#
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# LOCAL POTENTIAL
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# lloc, lpopt, rc(5), dvloc0
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4 5 1.60000 0.00000
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#
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# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
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# l, nproj, debl
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0 2 4.50000
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1 2 4.49666
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2 2 3.00000
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#
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# MODEL CORE CHARGE
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# icmod, fcfact, rcfact
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3 8.00000 1.15000
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#
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# LOG DERIVATIVE ANALYSIS
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# epsh1, epsh2, depsh
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-12.00 12.00 0.02
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#
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# OUTPUT GRID
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# rlmax, drl
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6.00 0.01
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#
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# TEST CONFIGURATIONS
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# ncnf
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0
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# nvcnf
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# n l f
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</INPUT>
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