/usr/share/cp2k/DFTB/nonscc/hb is in cp2k-data 2.6.2-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 | 0.1, 100,
0.0, +0.101483 -0.064831 +0.006837 +0.004692 4*0.0, 4.00, 3.0, 9*0.0,
20*1.0,
20*1.0,
20*1.0,
8*0., -0.3478 -0.2262,8*0., 0.3197 0.6484
8*0., -0.3990 -0.2826,8*0., 0.3863 0.6486
8*0., -0.4366 -0.3292,8*0., 0.4452 0.6469
8*0., -0.4622 -0.3654,8*0., 0.4958 0.6428
8*0., -0.4776 -0.3916,8*0., 0.5376 0.6360
8*0., -0.4846 -0.4087,8*0., 0.5707 0.6262
8*0., -0.4847 -0.4178,8*0., 0.5950 0.6134
8*0., -0.4793 -0.4203,8*0., 0.6111 0.5977
8*0., -0.4695 -0.4173,8*0., 0.6192 0.5792
8*0., -0.4565 -0.4097,8*0., 0.6201 0.5582
8*0., -0.4410 -0.3986,8*0., 0.6145 0.5349
8*0., -0.4238 -0.3847,8*0., 0.6031 0.5098
8*0., -0.4054 -0.3687,8*0., 0.5867 0.4833
8*0., -0.3863 -0.3513,8*0., 0.5662 0.4557
8*0., -0.3668 -0.3329,8*0., 0.5421 0.4274
8*0., -0.3471 -0.3139,8*0., 0.5154 0.3988
8*0., -0.3276 -0.2947,8*0., 0.4867 0.3702
8*0., -0.3084 -0.2756,8*0., 0.4566 0.3420
8*0., -0.2896 -0.2567,8*0., 0.4258 0.3144
8*0., -0.2712 -0.2382,8*0., 0.3947 0.2876
8*0., -0.2533 -0.2202,8*0., 0.3639 0.2619
8*0., -0.2361 -0.2030,8*0., 0.3336 0.2374
8*0., -0.2194 -0.1865,8*0., 0.3043 0.2142
8*0., -0.2035 -0.1708,8*0., 0.2761 0.1925
8*0., -0.1881 -0.1559,8*0., 0.2493 0.1722
8*0., -0.1735 -0.1418,8*0., 0.2241 0.1533
8*0., -0.1595 -0.1287,8*0., 0.2004 0.1360
8*0., -0.1463 -0.1164,8*0., 0.1784 0.1201
8*0., -0.1337 -0.1049,8*0., 0.1581 0.1057
8*0., -0.1218 -0.0943,8*0., 0.1395 0.0926
8*0., -0.1107 -0.0844,8*0., 0.1226 0.0808
8*0., -0.1002 -0.0754,8*0., 0.1072 0.0702
8*0., -0.0904 -0.0671,8*0., 0.0934 0.0607
8*0., -0.0814 -0.0596,8*0., 0.0811 0.0523
8*0., -0.0729 -0.0527,8*0., 0.0701 0.0449
8*0., -0.0651 -0.0465,8*0., 0.0603 0.0384
8*0., -0.0580 -0.0408,8*0., 0.0517 0.0327
8*0., -0.0514 -0.0358,8*0., 0.0442 0.0278
8*0., -0.0454 -0.0312,8*0., 0.0376 0.0235
8*0., -0.0400 -0.0272,8*0., 0.0319 0.0197
8*0., -0.0351 -0.0236,8*0., 0.0270 0.0165
8*0., -0.0306 -0.0204,8*0., 0.0228 0.0138
8*0., -0.0267 -0.0175,8*0., 0.0192 0.0115
8*0., -0.0231 -0.0150,8*0., 0.0161 0.0095
8*0., -0.0200 -0.0129,8*0., 0.0135 0.0078
8*0., -0.0171 -0.0110,8*0., 0.0112 0.0064
8*0., -0.0147 -0.0093,8*0., 0.0094 0.0052
8*0., -0.0125 -0.0079,8*0., 0.0078 0.0042
8*0., -0.0106 -0.0066,8*0., 0.0065 0.0034
8*0., -0.0090 -0.0056,8*0., 0.0054 0.0027
8*0., -0.0076 -0.0046,8*0., 0.0045 0.0022
8*0., -0.0064 -0.0039,8*0., 0.0038 0.0017
8*0., -0.0053 -0.0032,8*0., 0.0031 0.0014
8*0., -0.0044 -0.0026,8*0., 0.0026 0.0011
8*0., -0.0037 -0.0022,8*0., 0.0022 0.0008
8*0., -0.0030 -0.0018,8*0., 0.0018 0.0006
8*0., -0.0025 -0.0015,8*0., 0.0015 0.0005
8*0., -0.0020 -0.0012,8*0., 0.0013 0.0004
8*0., -0.0017 -0.0010,8*0., 0.0011 0.0003
8*0., -0.0014 -0.0008,8*0., 0.0009 0.0002
8*0., -0.0011 -0.0006,8*0., 0.0007 0.0002
8*0., -0.0009 -0.0005,8*0., 0.0006 0.0001
8*0., -0.0007 -0.0004,8*0., 0.0005 0.0001
8*0., -0.0006 -0.0003,8*0., 0.0004 0.0001
8*0., -0.0005 -0.0003,8*0., 0.0003 0.0000
8*0., -0.0004 -0.0002,8*0., 0.0002 0.0000
8*0., -0.0003 -0.0002,8*0., 0.0002 0.0000
8*0., -0.0003 -0.0001,8*0., 0.0001 0.0000
8*0., -0.0002 -0.0001,8*0., 0.0001 0.0000
8*0., -0.0002 -0.0001,8*0., 0.0000 0.0000
8*0., -0.0001 -0.0001,8*0., 0.0000 0.0000
8*0., -0.0001 -0.0001,8*0., 0.0000 0.0000
8*0., -0.0001 -0.0001,8*0., 0.0000 0.0000
8*0., -0.0001 -0.0001,8*0., 0.0000 0.0000
8*0., -0.0001 0.0000,8*0., 0.0000 0.0000
8*0., -0.0001 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|