!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! #info ./psgen ncpp 21:51:20 oct 11 2026 dani fhi pseudopotential tool fhipp - version rev270603B chemical symbol Sn nuclear charge 50.00 total charge 0.00 number of core states 9 number of valence states 2 exchange-correlation model 6 GGA Perdew/Burke/Ernzerhof scalar-relativistic mode parameters radial mesh 547 1.024700 0.125000E-03 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! 6 0.00 ! iexc , exmix 2 ! nshells 0 1 ! L values 4.00000 ! Z val 1.63386083 ! alpha 2.67 ! Rcutoff 607 0.0000000E+00 68.10289 4.0399157E-03 67.50536 8.0798315E-03 66.89932 1.2119748E-02 63.93864 1.6159663E-02 58.50827 2.0199580E-02 52.48190 2.4239495E-02 48.11525 2.8279413E-02 46.47036 3.2319326E-02 47.23820 3.6359243E-02 49.46609 4.0399160E-02 52.23824 4.4439074E-02 54.95517 4.8478991E-02 57.32385 5.2518908E-02 59.25577 5.6558825E-02 60.76917 6.0598738E-02 61.92304 6.4638652E-02 62.78818 6.8678573E-02 63.42744 7.2718486E-02 63.89280 7.6758400E-02 64.22614 8.0798320E-02 64.45859 8.4838234E-02 64.61398 8.8878147E-02 64.70955 9.2918068E-02 64.75902 9.6957982E-02 64.77203 0.1009979 64.75536 0.1050378 64.71512 0.1090777 64.65527 0.1131177 64.57884 0.1171576 64.48859 0.1211975 64.38611 0.1252374 64.27303 0.1292773 64.15038 0.1333172 64.01904 0.1373571 63.87955 0.1413971 63.73279 0.1454370 63.57920 0.1494769 63.41904 0.1535168 63.25269 0.1575567 63.08030 0.1615966 62.90210 0.1656366 62.71843 0.1696765 62.52960 0.1737164 62.33544 0.1777563 62.13626 0.1817962 61.93215 0.1858361 61.72327 0.1898760 61.50972 0.1939160 61.29156 0.1979559 61.06896 0.2019958 60.84198 0.2060357 60.61073 0.2100756 60.37517 0.2141155 60.13558 0.2181555 59.89195 0.2221954 59.64431 0.2262353 59.39281 0.2302752 59.13743 0.2343151 58.87832 0.2383550 58.61562 0.2423950 58.34937 0.2464349 58.07967 0.2504748 57.80655 0.2545147 57.53012 0.2585546 57.25041 0.2625946 56.96747 0.2666345 56.68111 0.2706744 56.39125 0.2747143 56.09775 0.2787542 55.80038 0.2827941 55.49890 0.2868340 55.19318 0.2908739 54.88307 0.2949139 54.56860 0.2989538 54.24989 0.3029937 53.92715 0.3070336 53.60074 0.3110735 53.27110 0.3151135 52.93849 0.3191534 52.60333 0.3231933 52.26584 0.3272332 51.92619 0.3312731 51.58451 0.3353130 51.24091 0.3393529 50.89542 0.3433928 50.54807 0.3474328 50.19893 0.3514727 49.84803 0.3555126 49.49548 0.3595525 49.14132 0.3635924 48.78565 0.3676324 48.42859 0.3716723 48.07026 0.3757122 47.71076 0.3797521 47.35023 0.3837920 46.98886 0.3878319 46.62675 0.3918718 46.26409 0.3959118 45.90104 0.3999517 45.53776 0.4039916 45.17441 0.4080315 44.81118 0.4120714 44.44825 0.4161114 44.08580 0.4201513 43.72403 0.4241912 43.36311 0.4282311 43.00323 0.4322710 42.64460 0.4363109 42.28740 0.4403508 41.93184 0.4443907 41.57810 0.4484307 41.22643 0.4524706 40.87698 0.4565105 40.52999 0.4605504 40.18564 0.4645903 39.84413 0.4686303 39.50570 0.4726702 39.17051 0.4767101 38.83875 0.4807500 38.51066 0.4847899 38.18639 0.4888298 37.86611 0.4928697 37.55003 0.4969096 37.23825 0.5009496 36.93099 0.5049895 36.62836 0.5090294 36.33047 0.5130693 36.03747 0.5171092 35.74944 0.5211492 35.46643 0.5251891 35.18855 0.5292290 34.91582 0.5332689 34.64826 0.5373088 34.38586 0.5413488 34.12862 0.5453886 33.87645 0.5494286 33.62933 0.5534685 33.38714 0.5575084 33.14974 0.5615483 32.91699 0.5655882 32.68873 0.5696281 32.46475 0.5736681 32.24483 0.5777080 32.02874 0.5817479 31.81617 0.5857878 31.60687 0.5898277 31.40052 0.5938677 31.19680 0.5979075 30.99534 0.6019475 30.79581 0.6059874 30.59786 0.6100273 30.40108 0.6140672 30.20511 0.6181071 30.00958 0.6221471 29.81411 0.6261870 29.61827 0.6302269 29.42173 0.6342668 29.22415 0.6383067 29.02515 0.6423466 28.82435 0.6463866 28.62148 0.6504264 28.41623 0.6544664 28.20829 0.6585063 27.99739 0.6625462 27.78329 0.6665862 27.56580 0.6706260 27.34471 0.6746660 27.11982 0.6787059 26.89104 0.6827458 26.65823 0.6867857 26.42129 0.6908256 26.18018 0.6948655 25.93487 0.6989055 25.68534 0.7029454 25.43161 0.7069853 25.17374 0.7110252 24.91180 0.7150651 24.64588 0.7191051 24.37609 0.7231449 24.10262 0.7271849 23.82561 0.7312248 23.54525 0.7352647 23.26173 0.7393046 22.97530 0.7433445 22.68623 0.7473844 22.39476 0.7514244 22.10114 0.7554643 21.80566 0.7595042 21.50869 0.7635441 21.21051 0.7675840 20.91144 0.7716240 20.61176 0.7756639 20.31181 0.7797038 20.01202 0.7837437 19.71265 0.7877836 19.41400 0.7918235 19.11640 0.7958634 18.82019 0.7999033 18.52573 0.8039433 18.23325 0.8079832 17.94302 0.8120231 17.65533 0.8160630 17.37043 0.8201029 17.08860 0.8241429 16.81001 0.8281828 16.53486 0.8322227 16.26330 0.8362626 15.99552 0.8403025 15.73164 0.8443424 15.47179 0.8483824 15.21601 0.8524222 14.96442 0.8564622 14.71704 0.8605021 14.47387 0.8645420 14.23497 0.8685820 14.00031 0.8726218 13.76988 0.8766618 13.54364 0.8807017 13.32147 0.8847416 13.10336 0.8887815 12.88925 0.8928214 12.67907 0.8968613 12.47272 0.9009013 12.27004 0.9049412 12.07094 0.9089811 11.87537 0.9130210 11.68322 0.9170609 11.49440 0.9211009 11.30875 0.9251407 11.12614 0.9291807 10.94652 0.9332206 10.76978 0.9372605 10.59584 0.9413004 10.42459 0.9453403 10.25592 0.9493802 10.08974 0.9534202 9.925999 0.9574601 9.764606 0.9615000 9.605503 0.9655399 9.448616 0.9695798 9.293877 0.9736198 9.141228 0.9776596 8.990623 0.9816996 8.842010 0.9857395 8.695354 0.9897794 8.550602 0.9938193 8.407753 0.9978592 8.266747 1.001899 8.127560 1.005939 7.990158 1.009979 7.854538 1.014019 7.720669 1.018059 7.588562 1.022099 7.458179 1.026139 7.329517 1.030179 7.202560 1.034218 7.077297 1.038258 6.953716 1.042298 6.831848 1.046338 6.711666 1.050378 6.593159 1.054418 6.476326 1.058458 6.361168 1.062498 6.247681 1.066538 6.135864 1.070578 6.025734 1.074618 5.917271 1.078658 5.810474 1.082698 5.705341 1.086737 5.601868 1.090777 5.500061 1.094817 5.399918 1.098857 5.301437 1.102897 5.204605 1.106937 5.109428 1.110977 5.015892 1.115017 4.923992 1.119057 4.833736 1.123097 4.745106 1.127137 4.658096 1.131176 4.572712 1.135216 4.488926 1.139256 4.406731 1.143296 4.326130 1.147336 4.247108 1.151376 4.169655 1.155416 4.093742 1.159456 4.019386 1.163496 3.946560 1.167536 3.875252 1.171576 3.805439 1.175616 3.737122 1.179655 3.670265 1.183695 3.604877 1.187735 3.540916 1.191775 3.478390 1.195815 3.417267 1.199855 3.357525 1.203895 3.299164 1.207935 3.242146 1.211975 3.186455 1.216015 3.132076 1.220055 3.078991 1.224095 3.027184 1.228134 2.976620 1.232174 2.927284 1.236214 2.879154 1.240254 2.832211 1.244294 2.786427 1.248334 2.741787 1.252374 2.698269 1.256414 2.655849 1.260454 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2.100756 2.4261475E-02 2.104796 2.3151398E-02 2.108836 2.2085190E-02 2.112876 2.1059036E-02 2.116916 2.0076752E-02 2.120956 1.9132614E-02 2.124996 1.8230438E-02 2.129036 1.7362595E-02 2.133076 1.6529083E-02 2.137115 1.5737534E-02 2.141155 1.4972687E-02 2.145195 1.4242172E-02 2.149235 1.3547897E-02 2.153275 1.2878418E-02 2.157315 1.2241364E-02 2.161355 1.1629105E-02 2.165395 1.1043549E-02 2.169435 1.0486603E-02 2.173475 9.9506378E-03 2.177515 9.4413757E-03 2.181555 8.9550018E-03 2.185595 8.4896088E-03 2.189635 8.0432892E-03 2.193674 7.6236725E-03 2.197714 7.2193146E-03 2.201754 6.8340302E-03 2.205794 6.4640045E-03 2.209834 6.1111450E-03 2.213874 5.7792664E-03 2.217914 5.4607391E-03 2.221954 5.1574707E-03 2.225994 4.8694611E-03 2.230034 4.5948029E-03 2.234074 4.3334961E-03 2.238113 4.0874481E-03 2.242153 3.8490295E-03 2.246193 3.6258698E-03 2.250233 3.4103394E-03 2.254273 3.2081604E-03 2.258313 3.0155182E-03 2.262353 2.8305054E-03 2.266393 2.6550293E-03 2.270433 2.4909973E-03 2.274473 2.3345947E-03 2.278512 2.1896362E-03 2.282552 2.0484924E-03 2.286592 1.9130707E-03 2.290632 1.7890930E-03 2.294672 1.6689301E-03 2.298712 1.5544891E-03 2.302752 1.4495850E-03 2.306792 1.3465881E-03 2.310832 1.2512207E-03 2.314872 1.1615753E-03 2.318912 1.0757446E-03 2.322952 9.9563599E-04 2.326992 9.1934204E-04 2.331032 8.4686279E-04 2.335071 7.8201294E-04 2.339111 7.1716309E-04 2.343151 6.5612793E-04 2.347191 6.0272217E-04 2.351231 5.4931641E-04 2.355271 4.9972534E-04 2.359311 4.5585632E-04 2.363351 4.1007996E-04 2.367391 3.7193298E-04 2.371431 3.3378601E-04 2.375471 2.9754639E-04 2.379510 2.6512146E-04 2.383550 2.3460388E-04 2.387590 2.0599365E-04 2.391630 1.8310547E-04 2.395670 1.5830994E-04 2.399710 1.3732910E-04 2.403750 1.2016296E-04 2.407790 9.9182129E-05 2.411830 8.5830688E-05 2.415870 7.0571899E-05 2.419910 5.5313110E-05 2.423949 4.5776367E-05 2.427989 3.4332275E-05 2.432029 2.4795532E-05 2.436069 1.7166138E-05 2.440109 9.5367432E-06 2.444149 5.7220459E-06 2.448189 1.9073486E-06 L=0 Npoint= 660 0.0000000E+00 186.9963 4.0399157E-03 187.0207 8.0798315E-03 187.0423 1.2119748E-02 187.0444 1.6159663E-02 187.0203 2.0199580E-02 186.9658 2.4239495E-02 186.8782 2.8279413E-02 186.7555 3.2319326E-02 186.5965 3.6359243E-02 186.4005 4.0399160E-02 186.1674 4.4439074E-02 185.8970 4.8478991E-02 185.5893 5.2518908E-02 185.2445 5.6558825E-02 184.8631 6.0598738E-02 184.4454 6.4638652E-02 183.9920 6.8678573E-02 183.5036 7.2718486E-02 182.9809 7.6758400E-02 182.4246 8.0798320E-02 181.8352 8.4838234E-02 181.2133 8.8878147E-02 180.5591 9.2918068E-02 179.8727 9.6957982E-02 179.1545 0.1009979 178.4051 0.1050378 177.6257 0.1090777 176.8176 0.1131177 175.9816 0.1171576 175.1189 0.1211975 174.2299 0.1252374 173.3156 0.1292773 172.3765 0.1333172 171.4134 0.1373571 170.4267 0.1413971 169.4172 0.1454370 168.3855 0.1494769 167.3320 0.1535168 166.2572 0.1575567 165.1619 0.1615966 164.0464 0.1656366 162.9114 0.1696765 161.7574 0.1737164 160.5851 0.1777563 159.3950 0.1817962 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