/usr/share/espresso/pseudo/Si.bhs is in quantum-espresso-data 5.1+dfsg-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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 | 'PZ'
'Si',4.0,2,2,3,.f.,2,.t. ! pseudo BHS
2.16 0.86 1.6054 -0.6054
2.48 2.81 3.09
-3.0575 0.8096 0.0012
0.0511 -0.0217 -0.0128
1.24 1.60 2.12
-1.7966 -0.0986 0.0424
0.0284 -0.0030 -0.0039
1.89 2.22 2.48
-0.1817 -0.5634 -0.0944
-0.2168 0.0215 0.0588
14.00000 -4.00000 .02500 431 3
Wavefunction 3s
0 2.00
2.4897020E-04 2.5527295E-04 2.6173525E-04 2.6836115E-04 2.7515478E-04
2.8212040E-04 2.8926236E-04 2.9658512E-04 3.0409327E-04 3.1179148E-04
3.1968459E-04 3.2777751E-04 3.3607531E-04 3.4458318E-04 3.5330643E-04
3.6225052E-04 3.7142103E-04 3.8082371E-04 3.9046442E-04 4.0034920E-04
4.1048423E-04 4.2087583E-04 4.3153051E-04 4.4245493E-04 4.5365591E-04
4.6514046E-04 4.7691576E-04 4.8898917E-04 5.0136824E-04 5.1406070E-04
5.2707450E-04 5.4041776E-04 5.5409883E-04 5.6812627E-04 5.8250884E-04
5.9725554E-04 6.1237559E-04 6.2787844E-04 6.4377378E-04 6.6007155E-04
6.7678195E-04 6.9391542E-04 7.1148268E-04 7.2949471E-04 7.4796277E-04
7.6689843E-04 7.8631350E-04 8.0622015E-04 8.2663082E-04 8.4755827E-04
8.6901560E-04 8.9101622E-04 9.1357389E-04 9.3670274E-04 9.6041721E-04
9.8473216E-04 1.0096628E-03 1.0352247E-03 1.0614339E-03 1.0883067E-03
1.1158601E-03 1.1441111E-03 1.1730776E-03 1.2027776E-03 1.2332298E-03
1.2644531E-03 1.2964671E-03 1.3292919E-03 1.3629481E-03 1.3974566E-03
1.4328392E-03 1.4691179E-03 1.5063155E-03 1.5444552E-03 1.5835611E-03
1.6236575E-03 1.6647696E-03 1.7069232E-03 1.7501447E-03 1.7944611E-03
1.8399003E-03 1.8864908E-03 1.9342617E-03 1.9832430E-03 2.0334655E-03
2.0849607E-03 2.1377609E-03 2.1918992E-03 2.2474096E-03 2.3043270E-03
2.3626871E-03 2.4225267E-03 2.4838832E-03 2.5467954E-03 2.6113027E-03
2.6774457E-03 2.7452660E-03 2.8148064E-03 2.8861107E-03 2.9592236E-03
3.0341914E-03 3.1110612E-03 3.1898816E-03 3.2707023E-03 3.3535744E-03
3.4385501E-03 3.5256831E-03 3.6150286E-03 3.7066431E-03 3.8005846E-03
3.8969126E-03 3.9956882E-03 4.0969740E-03 4.2008343E-03 4.3073352E-03
4.4165443E-03 4.5285312E-03 4.6433671E-03 4.7611254E-03 4.8818812E-03
5.0057117E-03 5.1326960E-03 5.2629155E-03 5.3964537E-03 5.5333964E-03
5.6738315E-03 5.8178496E-03 5.9655434E-03 6.1170083E-03 6.2723424E-03
6.4316463E-03 6.5950235E-03 6.7625800E-03 6.9344253E-03 7.1106714E-03
7.2914338E-03 7.4768310E-03 7.6669850E-03 7.8620211E-03 8.0620682E-03
8.2672588E-03 8.4777295E-03 8.6936205E-03 8.9150763E-03 9.1422454E-03
9.3752809E-03 9.6143402E-03 9.8595856E-03 1.0111184E-02 1.0369308E-02
1.0634134E-02 1.0905846E-02 1.1184631E-02 1.1470685E-02 1.1764207E-02
1.2065404E-02 1.2374490E-02 1.2691685E-02 1.3017216E-02 1.3351319E-02
1.3694235E-02 1.4046217E-02 1.4407522E-02 1.4778421E-02 1.5159190E-02
1.5550116E-02 1.5951498E-02 1.6363644E-02 1.6786872E-02 1.7221515E-02
1.7667916E-02 1.8126431E-02 1.8597431E-02 1.9081300E-02 1.9578437E-02
2.0089260E-02 2.0614198E-02 2.1153703E-02 2.1708243E-02 2.2278306E-02
2.2864401E-02 2.3467059E-02 2.4086834E-02 2.4724304E-02 2.5380075E-02
2.6054779E-02 2.6749077E-02 2.7463662E-02 2.8199260E-02 2.8956630E-02
2.9736571E-02 3.0539920E-02 3.1367555E-02 3.2220402E-02 3.3099431E-02
3.4005664E-02 3.4940178E-02 3.5904108E-02 3.6898648E-02 3.7925059E-02
3.8984674E-02 4.0078897E-02 4.1209215E-02 4.2377200E-02 4.3584514E-02
4.4832917E-02 4.6124276E-02 4.7460567E-02 4.8843886E-02 5.0276459E-02
5.1760648E-02 5.3298961E-02 5.4894066E-02 5.6548797E-02 5.8266171E-02
6.0049397E-02 6.1901891E-02 6.3827292E-02 6.5829477E-02 6.7912577E-02
7.0080996E-02 7.2339430E-02 7.4692887E-02 7.7146710E-02 7.9706597E-02
8.2378628E-02 8.5169290E-02 8.8085505E-02 9.1134654E-02 9.4324614E-02
9.7663779E-02 1.0116110E-01 1.0482611E-01 1.0866898E-01 1.1270049E-01
1.1693215E-01 1.2137617E-01 1.2604549E-01 1.3095384E-01 1.3611575E-01
1.4154656E-01 1.4726242E-01 1.5328034E-01 1.5961814E-01 1.6629444E-01
1.7332862E-01 1.8074077E-01 1.8855160E-01 1.9678231E-01 2.0545448E-01
2.1458986E-01 2.2421012E-01 2.3433660E-01 2.4498990E-01 2.5618956E-01
2.6795349E-01 2.8029744E-01 2.9323436E-01 3.0677368E-01 3.2092052E-01
3.3567479E-01 3.5103030E-01 3.6697376E-01 3.8348383E-01 4.0053015E-01
4.1807246E-01 4.3605978E-01 4.5442984E-01 4.7310869E-01 4.9201059E-01
5.1103827E-01 5.3008358E-01 5.4902856E-01 5.6774695E-01 5.8610611E-01
6.0396934E-01 6.2119843E-01 6.3765645E-01 6.5321061E-01 6.6773493E-01
6.8111275E-01 6.9323882E-01 7.0402094E-01 7.1338102E-01 7.2125557E-01
7.2759567E-01 7.3236652E-01 7.3554657E-01 7.3712649E-01 7.3710808E-01
7.3550315E-01 7.3233261E-01 7.2762562E-01 7.2141903E-01 7.1375684E-01
7.0468992E-01 6.9427558E-01 6.8257730E-01 6.6966432E-01 6.5561114E-01
6.4049703E-01 6.2440535E-01 6.0742296E-01 5.8963943E-01 5.7114639E-01
5.5203686E-01 5.3240450E-01 5.1234300E-01 4.9194547E-01 4.7130382E-01
4.5050819E-01 4.2964643E-01 4.0880361E-01 3.8806150E-01 3.6749819E-01
3.4718766E-01 3.2719945E-01 3.0759832E-01 2.8844400E-01 2.6979097E-01
2.5168827E-01 2.3417939E-01 2.1730220E-01 2.0108888E-01 1.8556600E-01
1.7075451E-01 1.5666991E-01 1.4332237E-01 1.3071693E-01 1.1885374E-01
1.0772830E-01 9.7331793E-02 8.7651375E-02 7.8670545E-02 7.0369503E-02
6.2725533E-02 5.5713393E-02 4.9305709E-02 4.3473370E-02 3.8185916E-02
3.3411913E-02 2.9119326E-02 2.5275854E-02 2.1849260E-02 1.8807669E-02
1.6119833E-02 1.3755378E-02 1.1685011E-02 9.8806932E-03 8.3157912E-03
6.9651860E-03 5.8053563E-03 4.8144311E-03 3.9722156E-03 3.2601905E-03
2.6614900E-03 2.1608594E-03 1.7445955E-03 1.4004736E-03 1.1176634E-03
8.8663644E-04 6.9906806E-04 5.4773694E-04 4.2642336E-04 3.2980884E-04
2.5337871E-04 1.9332891E-04 1.4647814E-04 1.1018604E-04 8.2278144E-05
6.0977677E-05 4.4844359E-05 3.2720134E-05 2.3681540E-05 1.6998355E-05
1.2098100E-05 8.5358657E-06 5.9689528E-06 4.1357760E-06 2.8385607E-06
1.9296997E-06 1.2990856E-06 8.6583439E-07 5.7117693E-07 3.7284835E-07
2.4077070E-07 1.5376803E-07 9.7095161E-08 6.0600098E-08 3.7373628E-08
2.2768916E-08 1.3698440E-08 8.1361146E-09 4.7692472E-09 2.7584157E-09
1.5740249E-09 8.8659882E-10 4.9420764E-10 2.7523044E-10 1.5097793E-10
8.1544383E-11 4.3347856E-11 2.2670404E-11 1.1659760E-11 5.8948779E-12
2.9283724E-12 1.4287321E-12 6.8430559E-13 3.2160364E-13 1.4823646E-13
6.6979006E-14 2.9651926E-14 1.2855029E-14 5.4546758E-15 2.2641459E-15
9.1883472E-16 3.6435079E-16 1.4109021E-16 5.3322193E-17 1.9655564E-17
7.0624458E-18 2.4719268E-18 8.4224533E-19 2.7916982E-19 8.9954323E-20
2.8157138E-20 8.5555751E-21 2.5216069E-21 7.2034079E-22 1.9929096E-22
5.3354856E-23
Wavefunction 3p
1 2.00
6.2940012E-07 6.6167015E-07 6.9559470E-07 7.3125859E-07 7.6875101E-07
8.0816571E-07 8.4960124E-07 8.9316122E-07 9.3895456E-07 9.8709577E-07
1.0377052E-06 1.0909095E-06 1.1468416E-06 1.2056414E-06 1.2674559E-06
1.3324398E-06 1.4007554E-06 1.4725736E-06 1.5480740E-06 1.6274455E-06
1.7108863E-06 1.7986053E-06 1.8908217E-06 1.9877661E-06 2.0896810E-06
2.1968212E-06 2.3094545E-06 2.4278627E-06 2.5523418E-06 2.6832030E-06
2.8207737E-06 2.9653977E-06 3.1174367E-06 3.2772709E-06 3.4453000E-06
3.6219441E-06 3.8076449E-06 4.0028668E-06 4.2080979E-06 4.4238514E-06
4.6506667E-06 4.8891111E-06 5.1397808E-06 5.4033026E-06 5.6803353E-06
5.9715717E-06 6.2777401E-06 6.5996061E-06 6.9379743E-06 7.2936910E-06
7.6676456E-06 8.0607732E-06 8.4740568E-06 8.9085297E-06 9.3652784E-06
9.8454449E-06 1.0350230E-05 1.0880896E-05 1.1438769E-05 1.2025245E-05
1.2641790E-05 1.3289946E-05 1.3971333E-05 1.4687655E-05 1.5440703E-05
1.6232361E-05 1.7064607E-05 1.7939523E-05 1.8859296E-05 1.9826227E-05
2.0842732E-05 2.1911354E-05 2.3034765E-05 2.4215773E-05 2.5457332E-05
2.6762546E-05 2.8134679E-05 2.9577161E-05 3.1093599E-05 3.2687785E-05
3.4363704E-05 3.6125548E-05 3.7977722E-05 3.9924856E-05 4.1971819E-05
4.4123729E-05 4.6385967E-05 4.8764189E-05 5.1264340E-05 5.3892673E-05
5.6655758E-05 5.9560504E-05 6.2614174E-05 6.5824403E-05 6.9199216E-05
7.2747051E-05 7.6476779E-05 8.0397725E-05 8.4519690E-05 8.8852982E-05
9.3408433E-05 9.8197432E-05 1.0323195E-04 1.0852458E-04 1.1408855E-04
1.1993776E-04 1.2608685E-04 1.3255118E-04 1.3934692E-04 1.4649104E-04
1.5400142E-04 1.6189683E-04 1.7019699E-04 1.7892267E-04 1.8809567E-04
1.9773892E-04 2.0787652E-04 2.1853382E-04 2.2973744E-04 2.4151540E-04
2.5389714E-04 2.6691359E-04 2.8059728E-04 2.9498243E-04 3.1010497E-04
3.2600270E-04 3.4271534E-04 3.6028466E-04 3.7875456E-04 3.9817120E-04
4.1858308E-04 4.4004121E-04 4.6259919E-04 4.8631339E-04 5.1124304E-04
5.3745042E-04 5.6500100E-04 5.9396360E-04 6.2441054E-04 6.5641788E-04
6.9006555E-04 7.2543757E-04 7.6262226E-04 8.0171248E-04 8.4280582E-04
8.8600486E-04 9.3141745E-04 9.7915693E-04 1.0293425E-03 1.0820993E-03
1.1375590E-03 1.1958600E-03 1.2571478E-03 1.3215752E-03 1.3893030E-03
1.4604999E-03 1.5353436E-03 1.6140207E-03 1.6967272E-03 1.7836693E-03
1.8750637E-03 1.9711380E-03 2.0721315E-03 2.1782959E-03 2.2898954E-03
2.4072078E-03 2.5305252E-03 2.6601543E-03 2.7964176E-03 2.9396541E-03
3.0902197E-03 3.2484888E-03 3.4148546E-03 3.5897303E-03 3.7735501E-03
3.9667702E-03 4.1698701E-03 4.3833535E-03 4.6077495E-03 4.8436142E-03
5.0915317E-03 5.3521157E-03 5.6260110E-03 5.9138947E-03 6.2164783E-03
6.5345089E-03 6.8687716E-03 7.2200907E-03 7.5893319E-03 7.9774046E-03
8.3852634E-03 8.8139111E-03 9.2644003E-03 9.7378365E-03 1.0235380E-02
1.0758249E-02 1.1307722E-02 1.1885141E-02 1.2491915E-02 1.3129522E-02
1.3799513E-02 1.4503515E-02 1.5243235E-02 1.6020464E-02 1.6837079E-02
1.7695049E-02 1.8596440E-02 1.9543415E-02 2.0538244E-02 2.1583302E-02
2.2681081E-02 2.3834190E-02 2.5045361E-02 2.6317454E-02 2.7653464E-02
2.9056524E-02 3.0529912E-02 3.2077056E-02 3.3701540E-02 3.5407109E-02
3.7197676E-02 3.9077325E-02 4.1050322E-02 4.3121112E-02 4.5294335E-02
4.7574822E-02 4.9967606E-02 5.2477922E-02 5.5111217E-02 5.7873147E-02
6.0769587E-02 6.3806626E-02 6.6990576E-02 7.0327967E-02 7.3825547E-02
7.7490284E-02 8.1329354E-02 8.5350145E-02 8.9560240E-02 9.3967412E-02
9.8579610E-02 1.0340494E-01 1.0845164E-01 1.1372808E-01 1.1924269E-01
1.2500398E-01 1.3102044E-01 1.3730055E-01 1.4385270E-01 1.5068511E-01
1.5780582E-01 1.6522256E-01 1.7294267E-01 1.8097303E-01 1.8931994E-01
1.9798899E-01 2.0698493E-01 2.1631155E-01 2.2597149E-01 2.3596611E-01
2.4629528E-01 2.5695718E-01 2.6794813E-01 2.7926235E-01 2.9089175E-01
3.0282568E-01 3.1505074E-01 3.2755050E-01 3.4030530E-01 3.5329205E-01
3.6648399E-01 3.7985057E-01 3.9335727E-01 4.0696553E-01 4.2063268E-01
4.3431200E-01 4.4795279E-01 4.6150057E-01 4.7489734E-01 4.8808198E-01
5.0099075E-01 5.1355784E-01 5.2571615E-01 5.3739805E-01 5.4853625E-01
5.5906479E-01 5.6892001E-01 5.7804151E-01 5.8637308E-01 5.9386360E-01
6.0046776E-01 6.0614663E-01 6.1086814E-01 6.1460726E-01 6.1734602E-01
6.1907342E-01 6.1978504E-01 6.1948266E-01 6.1817367E-01 6.1587053E-01
6.1259019E-01 6.0835353E-01 6.0318487E-01 5.9711161E-01 5.9016382E-01
5.8237409E-01 5.7377726E-01 5.6441031E-01 5.5431223E-01 5.4352388E-01
5.3208793E-01 5.2004863E-01 5.0745173E-01 4.9434427E-01 4.8077438E-01
4.6679108E-01 4.5244409E-01 4.3778358E-01 4.2285997E-01 4.0772369E-01
3.9242498E-01 3.7701366E-01 3.6153889E-01 3.4604900E-01 3.3059124E-01
3.1521157E-01 2.9995447E-01 2.8486274E-01 2.6997730E-01 2.5533701E-01
2.4097850E-01 2.2693600E-01 2.1324120E-01 1.9992312E-01 1.8700801E-01
1.7451923E-01 1.6247721E-01 1.5089936E-01 1.3980009E-01 1.2919076E-01
1.1907973E-01 1.0947240E-01 1.0037129E-01 9.1776102E-02 8.3683866E-02
7.6089065E-02 6.8983795E-02 6.2357934E-02 5.6199337E-02 5.0494032E-02
4.5226435E-02 4.0379566E-02 3.5935271E-02 3.1874442E-02 2.8177241E-02
2.4823311E-02 2.1791984E-02 1.9062481E-02 1.6614092E-02 1.4426352E-02
1.2479190E-02 1.0753075E-02 9.2291281E-03 7.8892335E-03 6.7161186E-03
5.6934232E-03 4.8057490E-03 4.0386935E-03 3.3788681E-03 2.8139025E-03
2.3324358E-03 1.9240970E-03 1.5794751E-03 1.2900811E-03 1.0483035E-03
8.4735852E-04 6.8123615E-04 5.4464424E-04 4.3295085E-04 3.4213403E-04
2.6878477E-04 2.0989847E-04 1.6290828E-04 1.2564282E-04 9.6276982E-05
7.3286736E-05 5.5408002E-05 4.1599490E-05 3.1009462E-05 2.2946240E-05
1.6852263E-05 1.2281479E-05 8.8797970E-06 6.3683565E-06 4.5293253E-06
3.1939570E-06 2.2326432E-06 1.5467042E-06 1.0616800E-06 7.2190017E-07
4.8613278E-07 3.2413354E-07 2.1393646E-07 1.3974953E-07 9.0337842E-08
5.7794927E-08 3.6620188E-08 2.3034752E-08 1.4481670E-08 8.9959234E-09
5.5199124E-09 3.3445832E-09 2.0004873E-09 1.1807846E-09 6.8754348E-10
3.9479718E-10 2.2347983E-10 1.2466231E-10 6.8501922E-11 3.7065950E-11
1.9741594E-11 1.0345455E-11 5.3321022E-12 2.7017524E-12 1.3452497E-12
6.5792720E-13 3.1591687E-13 1.4886250E-13 6.8803049E-14 3.1176476E-14
1.3842837E-14
Wavefunction 3d
2 .00
1.2953704E-09 1.3962591E-09 1.5050055E-09 1.6222215E-09 1.7485668E-09
1.8847523E-09 2.0315446E-09 2.1897696E-09 2.3603178E-09 2.5441490E-09
2.7422977E-09 2.9558790E-09 3.1860949E-09 3.4342409E-09 3.7017136E-09
3.9900180E-09 4.3007768E-09 4.6357388E-09 4.9967889E-09 5.3859590E-09
5.8054392E-09 6.2575902E-09 6.7449565E-09 7.2702808E-09 7.8365194E-09
8.4468589E-09 9.1047340E-09 9.8138470E-09 1.0578188E-08 1.1402060E-08
1.2290097E-08 1.3247299E-08 1.4279050E-08 1.5391159E-08 1.6589883E-08
1.7881968E-08 1.9274685E-08 2.0775872E-08 2.2393977E-08 2.4138106E-08
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