/usr/share/cp2k/DFTB/scc/ch.spl 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.
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8*0.0 4.186079576017e-05 3.302588999502e-06 8*0.0 -5.320119999111e-05 -5.274541997342e-05
8*0.0 4.054131583513e-05 4.190780709655e-06 8*0.0 -5.072839385827e-05 -5.391303142193e-05
8*0.0 3.924391140329e-05 5.056470101286e-06 8*0.0 -4.827980578264e-05 -5.503979996996e-05
8*0.0 3.800522454897e-05 5.893934858274e-06 8*0.0 -4.585558228356e-05 -5.612606875591e-05
8*0.0 3.678290218835e-05 6.706573617881e-06 8*0.0 -4.345588102858e-05 -5.717218114997e-05
8*0.0 3.559172516330e-05 7.488743099904e-06 8*0.0 -4.108086943754e-05 -5.817848114109e-05
8*0.0 3.442357223941e-05 8.256966032589e-06 8*0.0 -3.873072335337e-05 -5.914531369265e-05
8*0.0 3.328473749493e-05 8.995925596259e-06 8*0.0 -3.640562577755e-05 -6.007302506847e-05
8*0.0 3.217081127388e-05 9.710408420149e-06 8*0.0 -3.410576566807e-05 -6.096196313023e-05
8*0.0 3.108139531232e-05 1.040290521585e-05 8*0.0 -3.183133679781e-05 -6.181247760770e-05
8*0.0 3.001580821091e-05 1.107269182571e-05 8*0.0 -2.958253667150e-05 -6.262492034277e-05
8*0.0 2.897630393749e-05 1.171797483344e-05 8*0.0 -2.735956549910e-05 -6.339964550874e-05
8*0.0 2.795051460443e-05 1.234680566416e-05 8*0.0 -2.516262522388e-05 -6.413700980567e-05
8*0.0 2.694902087323e-05 1.295422548315e-05 8*0.0 -2.299191860326e-05 -6.483737263319e-05
8*0.0 2.596774486611e-05 1.353984366172e-05 8*0.0 -2.084764834056e-05 -6.550109624160e-05
8*0.0 2.500631028742e-05 1.410519811927e-05 8*0.0 -1.873001626607e-05 -6.612854586246e-05
8*0.0 2.406329002955e-05 1.465101824233e-05 8*0.0 -1.663922256552e-05 -6.672008981948e-05
8*0.0 2.313535011855e-05 1.517967638597e-05 8*0.0 -1.457546505433e-05 -6.727609962093e-05
8*0.0 2.223051192792e-05 1.568526474823e-05 8*0.0 -1.253893849615e-05 -6.779695003419e-05
8*0.0 2.133912559124e-05 1.617472308785e-05 8*0.0 -1.052983396388e-05 -6.828301914364e-05
8*0.0 2.046409288412e-05 1.664589181831e-05 8*0.0 -8.548338241792e-06 -6.873468839252e-05
8*0.0 1.960465534001e-05 1.709927429908e-05 8*0.0 -6.594633267116e-06 -6.915234260981e-05
8*0.0 1.876072968294e-05 1.753248149699e-05 8*0.0 -4.668895609772e-06 -6.953637002277e-05
8*0.0 1.792850566579e-05 1.795482004231e-05 8*0.0 -2.771295988640e-06 -6.988716225601e-05
8*0.0 1.711486887701e-05 1.835594900476e-05 8*0.0 -9.019988231208e-07 -7.020511431790e-05
8*0.0 1.631322029979e-05 1.874127464016e-05 8*0.0 9.388381814396e-07 -7.049062457489e-05
8*0.0 1.552472401159e-05 1.911046625227e-05 8*0.0 2.751064415763e-06 -7.074409471466e-05
8*0.0 1.474919116390e-05 1.946366822472e-05 8*0.0 4.534536717375e-06 -7.096592969863e-05
8*0.0 1.398619464651e-05 1.980118643198e-05 8*0.0 6.289119691279e-06 -7.115653770450e-05
8*0.0 1.323447829207e-05 2.012349788189e-05 8*0.0 8.014686001845e-06 -7.131633005955e-05
8*0.0 1.249675808683e-05 2.043043734661e-05 8*0.0 9.711116637012e-06 -7.144572116522e-05
8*0.0 1.176993433938e-05 2.072210657137e-05 8*0.0 1.137830114601e-05 -7.154512841359e-05
8*0.0 1.105404190687e-05 2.099948577302e-05 8*0.0 1.301613785167e-05 -7.161497209632e-05
8*0.0 1.036248760548e-05 2.124896569327e-05 8*0.0 1.462453403845e-05 -7.165567530663e-05
8*0.0 9.656177748064e-06 2.151115466821e-05 8*0.0 1.620340611712e-05 -7.166766383478e-05
8*0.0 8.973796605398e-06 2.174478448228e-05 8*0.0 1.775267976730e-05 -7.165136605764e-05
8*0.0 8.302178352260e-06 2.196032996830e-05 8*0.0 1.927229005865e-05 -7.160721282271e-05
8*0.0 7.639195353981e-06 2.217356770696e-05 8*0.0 2.076218155176e-05 -7.153563732723e-05
8*0.0 6.987325501043e-06 2.236720726491e-05 8*0.0 2.222230837971e-05 -7.143707499264e-05
8*0.0 6.345670870792e-06 2.254782629413e-05 8*0.0 2.365263431107e-05 -7.131196333496e-05
8*0.0 5.713293948420e-06 2.271582980307e-05 8*0.0 2.505313279538e-05 -7.116074183144e-05
8*0.0 5.090580773073e-06 2.287063642130e-05 8*0.0 2.642378699177e-05 -7.098385178387e-05
8*0.0 4.477500313390e-06 2.301312998257e-05 8*0.0 2.776458978171e-05 -7.078173617895e-05
8*0.0 3.874246647903e-06 2.314297927451e-05 8*0.0 2.907554376660e-05 -7.055483954607e-05
8*0.0 3.291292237122e-06 2.325458816256e-05 8*0.0 3.035666125088e-05 -7.030360781284e-05
8*0.0 2.694756157483e-06 2.336671607922e-05 8*0.0 3.160796421165e-05 -7.002848815873e-05
8*0.0 2.118082167715e-06 2.346108252866e-05 8*0.0 3.282948425524e-05 -6.972992886708e-05
8*0.0 1.550906342692e-06 2.354356909073e-05 8*0.0 3.402126256160e-05 -6.940837917583e-05
8*0.0 9.929927983809e-07 2.361479592461e-05 8*0.0 3.518334981717e-05 -6.906428912728e-05
8*0.0 4.475746823629e-07 2.367760478497e-05 8*0.0 3.631580613674e-05 -6.869810941702e-05
8*0.0 -9.716986471630e-08 2.372303725720e-05 8*0.0 3.741870097517e-05 -6.831029124248e-05
8*0.0 -6.293789113248e-07 2.376045594479e-05 8*0.0 3.849211302931e-05 -6.790128615124e-05
8*0.0 -1.152705490967e-06 2.378729732949e-05 8*0.0 3.953613013093e-05 -6.747154588925e-05
8*0.0 -1.667414053334e-06 2.380354996458e-05 8*0.0 4.055084913109e-05 -6.702152224947e-05
8*0.0 -2.173554805020e-06 2.380934611958e-05 8*0.0 4.153637577651e-05 -6.655166692073e-05
8*0.0 -2.671071922711e-06 2.380471568889e-05 8*0.0 4.249282457857e-05 -6.606243133747e-05
8*0.0 -3.161089855550e-06 2.379122327940e-05 8*0.0 4.342031867529e-05 -6.555426653010e-05
8*0.0 -3.641100287387e-06 2.376568021856e-05 8*0.0 4.431898968691e-05 -6.502762297657e-05
8*0.0 -4.111739606907e-06 2.373049543481e-05 8*0.0 4.518897756549e-05 -6.448295045494e-05
8*0.0 -4.573865523158e-06 2.368552580488e-05 8*0.0 4.603043043895e-05 -6.392069789751e-05
8*0.0 -5.033260667921e-06 2.363441471656e-05 8*0.0 4.684350445007e-05 -6.334131324623e-05
8*0.0 -5.479489314514e-06 2.357260726250e-05 8*0.0 4.762836359080e-05 -6.274524330991e-05
8*0.0 -5.919614889674e-06 2.349984699527e-05 8*0.0 4.838517953230e-05 -6.213293362315e-05
8*0.0 -6.350498652197e-06 2.342008711311e-05 8*0.0 4.911413145113e-05 -6.150482830712e-05
8*0.0 -6.776884006639e-06 2.333120972888e-05 8*0.0 4.981540585194e-05 -6.086136993245e-05
8*0.0 -7.187335601791e-06 2.323137150081e-05 8*0.0 5.048919638699e-05 -6.020299938417e-05
8*0.0 -7.593432113377e-06 2.312461071699e-05 8*0.0 5.113570367292e-05 -5.953015572887e-05
8*0.0 -7.991412560826e-06 2.300952186361e-05 8*0.0 5.175513510501e-05 -5.884327608425e-05
8*0.0 -8.381180243989e-06 2.288622366000e-05 8*0.0 5.234770466936e-05 -5.814279549095e-05
8*0.0 -8.762816920584e-06 2.275492190728e-05 8*0.0 5.291363275313e-05 -5.742914678702e-05
8*0.0 -9.136679046813e-06 2.261617880254e-05 8*0.0 5.345314595331e-05 -5.670276048480e-05
Spline
34 3.5
2.198518512629381 2.147421636649093 -0.1560071349326178
1.2 1.24 0.456129 -1.345792624898757 1.479375000000003 0.2453905617232704
1.24 1.28 0.40468 -1.226264750202485 1.508821867406795 -1.226952808616302
1.28 1.32 0.357965 -1.1114483742913 1.361587530372839 -0.7750793272574601
1.32 1.36 0.315636 -1.006241752632308 1.268578011101944 -0.8446048823560177
1.36 1.4 0.277362 -0.9088096151794613 1.167225425219221 -0.7527511433197074
1.4 1.44 0.242829 -0.8190447866498586 1.076895288020857 -0.7381405443593912
1.44 1.48 0.211743 -0.7364362382211151 0.9883184226977298 -0.6696866792459264
1.48 1.52 0.183824 -0.6605852604656771 0.9079560211882186 -0.6456127386565936
1.52 1.56 0.158812 -0.5910477199161712 0.8304824925494273 -0.6072373661285504
1.56 1.6 0.13646 -0.527523859869634 0.7576140086140012 -0.5504377968284878
1.6 1.64 0.116536 -0.4695568406052906 0.6915614729945826 -0.5347614465590119
1.64 1.68 0.09882600000000001 -0.4167987777092075 0.6273900994075015 -0.4823914169327255
1.68 1.72 0.08312700000000001 -0.3689230485578844 0.5695031293755743 -0.4575478857114137
1.72 1.76 0.06925200000000001 -0.3255590280592532 0.5145973830902046 -0.4217920402218352
1.76 1.8 0.057026 -0.2864158392051016 0.4639823382635844 -0.3865339534009611
1.8 1.84 0.046287 -0.2511526151203394 0.417598263855469 -0.3601971461744589
1.84 1.88 0.036886 -0.2194737003135393 0.3743746063145339 -0.3289274619018495
1.88 1.92 0.028685 -0.1911025836255056 0.3349033108863121 -0.3084680062167705
1.92 1.96 0.021557 -0.1657909651844411 0.2978871501402997 -0.2653255132317116
1.96 2 0.015385 -0.1432335556367293 0.2660480885524942 -0.2552299408564956
2 2.04 0.010065 -0.1231748122686409 0.2354204956497147 -0.2293797233421972
2.04 2.08 0.005500000000000001 -0.1054421952887063 0.207894928848651 -0.2022511657748048
2.08 2.12 0.001602000000000001 -0.08978140657653326 0.1836247889556744 -0.1803656135585422
2.12 2.16 -0.001706999999999999 -0.07595717840516029 0.1619809153286494 -0.1700363799910177
2.16 2.2 -0.004496999999999999 -0.06381487980282521 0.1415765497297272 -0.139488866477396
2.2 2.24 -0.006832 -0.05315830238353853 0.1248378857524397 -0.1313831540993758
2.24 2.28 -0.008766999999999999 -0.04380191066302035 0.1090719072605146 -0.1162285171253928
2.28 2.32 -0.010352 -0.03563405496438115 0.09512448520546758 -0.09120277739843705
2.32 2.36 -0.011631 -0.02846186947945623 0.08418015191765513 -0.0970853732812284
2.36 2.4 -0.012641 -0.02219346711779371 0.07252990712390771 -0.05170572947660723
2.4 2.44 -0.013416 -0.01663926204936881 0.06632521958671483 -0.14921670881236
2.44 2.48 -0.013985 -0.01204948468473095 0.04841921452923162 0.2891975647260674
2.48 2.84 -0.014371 -0.006787799211707284 0.08312292229635974 -0.08483631287280521
2.84 3.5 -0.01 0.02007634639672507 -0.008500295606269857 0.1099349367199619 -0.2904128801769102 0.1912556086105955
|