BSE-PES/Data/scan_N2_VDZ_Kx.dat

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2020-03-20 00:05:50 +01:00
1.5 -108.3737784434 -0.2458592523 -0.1415230608 -0.2122845912 -0.1041483941 -0.1562225911 -0.1171391555 -0.2160304276 -0.1171391555 -0.2160304276 -0.2919950480 0.0000000000 -0.2405107623 -0.0271988746 -0.1136212436 -0.1704318653 0.594735 0.594735 0.673766 0.675025 0.675025 0.509397 0.509397 0.537006 0.537006 0.588191 1.067006 1.067006 1.115667 1.115667 1.149440 1.006396 1.006396 1.024835 1.024835 1.149440 0.589859 0.589859 0.664990 0.664990 0.667453 0.502611 0.502611 0.527000 0.527000 0.561860 0.578807 0.578807 0.649225 0.649225 0.691389 0.538482 0.538482 0.562506 0.562506 0.665603 0.538482 0.538482 0.562506 0.562506 0.665603 0.538482 0.538482 0.562506 0.562506 0.665603 0.538482 0.538482 0.562506 0.562506 0.665603 0.538482 0.538482 0.562506 0.562506 0.665603
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2 -108.9547342618 -0.3061411986 -0.1617334939 -0.2426002408 -0.1202503312 -0.1803754968 -0.1460581311 -0.3367344063 -0.1460581311 -0.3367344063 -0.3342690135 0.0000000000 -0.2940244192 -0.0686191988 -0.1351364789 -0.2027047184 0.350876 0.371545 0.371545 0.394510 0.394510 0.266362 0.307476 0.307476 0.318437 0.318437 0.822429 0.870056 0.870056 0.884742 0.884742 0.822429 0.822429 0.822429 0.822429 0.826608 0.332919 0.362670 0.362670 0.386095 0.386095 0.188548 0.263535 0.263535 0.306677 0.306677 0.389537 0.389537 0.392380 0.415920 0.415920 0.359771 0.359771 0.360410 0.391096 0.391096 0.359771 0.359771 0.360410 0.391096 0.391096 0.359771 0.359771 0.360410 0.391096 0.391096 0.359771 0.359771 0.360410 0.391096 0.391096 0.359771 0.359771 0.360410 0.391096 0.391096
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3 -108.3552203840 -0.2935944842 -0.1626569127 -0.2439853690 -0.1167793663 -0.1751690494 -0.0519582493 0.1540838387 NaN NaN -0.3385092298 0.0000000000 -0.1670038823 0.0793180087 NaN NaN -0.162677 -0.084778 -0.026190 -0.014734 0.134587 -0.220715 -0.127625 -0.095131 -0.059290 -0.033604 0.328854 0.360480 0.450611 0.475947 0.595490 0.293612 0.327603 0.417361 0.443128 0.451351 0.000000 0.000000 0.000000 0.000000 0.130822 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.121772 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
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3.3 -108.3459375600 -0.2914845498 -0.1626993680 -0.2440490519 -0.1156958611 -0.1735437917 -0.0588218477 0.1735830887 NaN NaN -0.3360231021 0.0000000000 -0.1955788270 0.1173549806 NaN NaN -0.122482 -0.080782 -0.029570 -0.014194 0.096225 -0.182345 -0.122668 -0.103306 -0.080451 -0.058304 0.350920 0.368032 0.441790 0.475235 0.545968 0.318023 0.336363 0.390731 0.409071 0.444362 0.000000 0.000000 0.000000 0.000000 0.091595 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.086099 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
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