!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! #info ./psgen ncpp 21:51:08 oct 11 2026 dani fhi pseudopotential tool fhipp - version rev270603B chemical symbol Pd nuclear charge 46.00 total charge 0.00 number of core states 8 number of valence states 2 exchange-correlation model 6 GGA Perdew/Burke/Ernzerhof scalar-relativistic mode parameters radial mesh 545 1.024700 0.135870E-03 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! 6 0.00 ! iexc , exmix 2 ! nshells 0 2 ! L values 10.00000 ! Z val 1.80125177 ! alpha 2.01 ! Rcutoff 532 0.0000000E+00 144.6940 4.1820672E-03 130.6871 8.3641345E-03 116.6635 1.2546202E-02 64.21475 1.6728269E-02 152.0726 2.0910338E-02 137.5901 2.5092404E-02 132.5436 2.9274471E-02 131.4394 3.3456538E-02 131.1766 3.7638608E-02 131.1173 4.1820675E-02 131.1323 4.6002742E-02 131.1854 5.0184809E-02 131.2662 5.4366875E-02 131.3688 5.8548942E-02 131.4867 6.2731013E-02 131.6176 6.6913076E-02 131.7558 7.1095146E-02 131.8974 7.5277217E-02 132.0379 7.9459280E-02 132.1741 8.3641350E-02 132.3013 8.7823413E-02 132.4174 9.2005484E-02 132.5185 9.6187554E-02 132.6006 0.1003696 132.6602 0.1045517 132.6930 0.1087338 132.6955 0.1129158 132.6635 0.1170979 132.5931 0.1212800 132.4801 0.1254620 132.3198 0.1296441 132.1090 0.1338262 131.8430 0.1380082 131.5186 0.1421903 131.1322 0.1463724 130.6812 0.1505544 130.1633 0.1547365 129.5785 0.1589186 128.9264 0.1631006 128.2088 0.1672827 127.4286 0.1714648 126.5905 0.1756468 125.7013 0.1798289 124.7686 0.1840110 123.8022 0.1881930 122.8133 0.1923751 121.8148 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94.58911 0.4182068 93.83287 0.4223888 93.09225 0.4265709 92.36362 0.4307529 91.64291 0.4349350 90.92744 0.4391171 90.21466 0.4432991 89.50226 0.4474812 88.78894 0.4516633 88.07359 0.4558454 87.35539 0.4600274 86.63393 0.4642095 85.90924 0.4683915 85.18115 0.4725736 84.45004 0.4767557 83.71611 0.4809377 82.97964 0.4851198 82.24121 0.4893019 81.50110 0.4934840 80.75972 0.4976660 80.01750 0.5018481 79.27477 0.5060301 78.53186 0.5102122 77.78905 0.5143943 77.04665 0.5185764 76.30481 0.5227584 75.56381 0.5269405 74.82381 0.5311226 74.08496 0.5353046 73.34731 0.5394867 72.61104 0.5436687 71.87624 0.5478508 71.14288 0.5520329 70.41118 0.5562150 69.68111 0.5603970 68.95274 0.5645791 68.22609 0.5687612 67.50124 0.5729432 66.77826 0.5771253 66.05711 0.5813074 65.33794 0.5854895 64.62074 0.5896715 63.90561 0.5938536 63.19257 0.5980356 62.48169 0.6022177 61.77306 0.6063998 61.06670 0.6105818 60.36272 0.6147639 59.66115 0.6189460 58.96210 0.6231281 58.26562 0.6273101 57.57176 0.6314922 56.88066 0.6356742 56.19231 0.6398563 55.50684 0.6440384 54.82426 0.6482205 54.14468 0.6524025 53.46819 0.6565846 52.79477 0.6607667 52.12454 0.6649487 51.45760 0.6691308 50.79387 0.6733128 50.13353 0.6774949 49.47659 0.6816770 48.82309 0.6858591 48.17310 0.6900411 47.52664 0.6942232 46.88379 0.6984053 46.24457 0.7025873 45.60904 0.7067694 44.97720 0.7109514 44.34915 0.7151335 43.72488 0.7193156 43.10448 0.7234977 42.48793 0.7276797 41.87532 0.7318618 41.26666 0.7360439 40.66196 0.7402259 40.06131 0.7444080 39.46471 0.7485901 38.87222 0.7527722 38.28384 0.7569542 37.69968 0.7611363 37.11966 0.7653183 36.54391 0.7695004 35.97241 0.7736825 35.40524 0.7778645 34.84239 0.7820466 34.28391 0.7862287 33.72983 0.7904108 33.18019 0.7945928 32.63501 0.7987749 32.09435 0.8029569 31.55821 0.8071390 31.02663 0.8113211 30.49963 0.8155031 29.97729 0.8196852 29.45958 0.8238673 28.94656 0.8280494 28.43826 0.8322314 27.93469 0.8364135 27.43587 0.8405955 26.94186 0.8447776 26.45265 0.8489597 25.96832 0.8531417 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