!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! #info ./psgen ncpp 21:50:42 oct 11 2026 dani fhi pseudopotential tool fhipp - version rev270603B chemical symbol Cr nuclear charge 24.00 total charge 0.00 number of core states 5 number of valence states 2 exchange-correlation model 6 GGA Perdew/Burke/Ernzerhof scalar-relativistic mode parameters radial mesh 517 1.024700 0.260417E-03 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! 6 0.00 ! iexc , exmix 2 ! nshells 0 2 ! L values 6.00000 ! Z val 1.64147580 ! alpha 1.99 ! Rcutoff 603 0.0000000E+00 -56.45398 4.0478930E-03 30.81483 8.0957860E-03 118.0840 1.2143679E-02 70.03384 1.6191572E-02 67.87898 2.0239465E-02 67.99605 2.4287358E-02 68.40487 2.8335249E-02 68.98671 3.2383144E-02 69.70697 3.6431037E-02 70.52374 4.0478930E-02 71.40704 4.4526823E-02 72.32784 4.8574716E-02 73.26202 5.2622605E-02 74.18747 5.6670498E-02 75.07996 6.0718391E-02 75.91636 6.4766288E-02 76.67073 6.8814181E-02 77.31257 7.2862074E-02 77.80946 7.6909967E-02 78.12820 8.0957860E-02 78.23136 8.5005753E-02 78.08423 8.9053646E-02 77.65437 9.3101539E-02 76.91779 9.7149432E-02 75.86364 0.1011973 74.50045 0.1052452 72.86360 0.1092931 71.02251 0.1133410 69.08335 0.1173889 67.19131 0.1214368 65.52478 0.1254847 64.28143 0.1295326 63.65601 0.1335805 63.81091 0.1376284 64.84061 0.1416762 66.74318 0.1457241 69.40079 0.1497720 72.58881 0.1538199 76.00817 0.1578678 79.33910 0.1619157 82.29185 0.1659636 84.63774 0.1700115 86.21747 0.1740594 86.94010 0.1781073 86.78654 0.1821552 85.82745 0.1862031 84.24191 0.1902510 82.31010 0.1942989 80.35876 0.1983467 78.67113 0.2023946 77.40373 0.2064425 76.56551 0.2104904 76.06869 0.2145383 75.78504 0.2185862 75.59831 0.2226341 75.43055 0.2266820 75.23885 0.2307299 75.00583 0.2347778 74.73164 0.2388257 74.42352 0.2428736 74.09048 0.2469215 73.74227 0.2509694 73.38673 0.2550173 73.02941 0.2590652 72.67403 0.2631130 72.32275 0.2671609 71.97655 0.2712088 71.63501 0.2752567 71.29745 0.2793046 70.96259 0.2833525 70.62883 0.2874004 70.29459 0.2914483 69.95833 0.2954962 69.61843 0.2995441 69.27360 0.3035920 68.92288 0.3076399 68.56530 0.3116877 68.20045 0.3157356 67.82814 0.3197835 67.44824 0.3238314 67.06100 0.3278793 66.66677 0.3319272 66.26587 0.3359751 65.85900 0.3400230 65.44656 0.3440709 65.02911 0.3481188 64.60722 0.3521667 64.18127 0.3562146 63.75184 0.3602625 63.31922 0.3643104 62.88379 0.3683583 62.44590 0.3724062 62.00574 0.3764540 61.56365 0.3805019 61.11981 0.3845498 60.67440 0.3885977 60.22758 0.3926456 59.77954 0.3966935 59.33040 0.4007414 58.88029 0.4047893 58.42933 0.4088372 57.97762 0.4128851 57.52528 0.4169330 57.07240 0.4209808 56.61906 0.4250287 56.16534 0.4290766 55.71130 0.4331245 55.25703 0.4371724 54.80264 0.4412203 54.34814 0.4452682 53.89362 0.4493161 53.43910 0.4533640 52.98469 0.4574119 52.53040 0.4614598 52.07632 0.4655077 51.62248 0.4695556 51.16891 0.4736035 50.71570 0.4776514 50.26285 0.4816993 49.81046 0.4857471 49.35854 0.4897950 48.90711 0.4938429 48.45628 0.4978908 48.00602 0.5019387 47.55643 0.5059866 47.10752 0.5100345 46.65936 0.5140824 46.21198 0.5181303 45.76543 0.5221782 45.31973 0.5262260 44.87494 0.5302740 44.43111 0.5343218 43.98827 0.5383698 43.54646 0.5424176 43.10577 0.5464655 42.66615 0.5505134 42.22774 0.5545613 41.79051 0.5586092 41.35455 0.5626571 40.91993 0.5667050 40.48660 0.5707529 40.05470 0.5748008 39.62419 0.5788487 39.19520 0.5828966 38.76772 0.5869445 38.34181 0.5909923 37.91750 0.5950403 37.49487 0.5990881 37.07391 0.6031360 36.65472 0.6071839 36.23730 0.6112318 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7.0190430E-04 2.189910 6.7138672E-04 2.193958 6.4468384E-04 2.198006 6.1416626E-04 2.202054 5.9127808E-04 2.206102 5.6457520E-04 2.210150 5.4168701E-04 2.214197 5.1498413E-04 2.218245 4.9591064E-04 2.222293 4.7302246E-04 2.226341 4.4631958E-04 2.230389 4.2724609E-04 2.234437 4.0817261E-04 2.238485 3.9291382E-04 2.242533 3.7002563E-04 2.246581 3.5476685E-04 2.250628 3.3187866E-04 2.254676 3.1661987E-04 2.258724 3.0136108E-04 2.262772 2.8610229E-04 2.266820 2.7465820E-04 2.270868 2.5939941E-04 2.274916 2.4795532E-04 2.278964 2.3269653E-04 2.283012 2.1743774E-04 2.287060 2.0217896E-04 2.291107 1.9454956E-04 2.295155 1.8310547E-04 2.299203 1.7166138E-04 2.303251 1.6021729E-04 2.307299 1.5258789E-04 2.311347 1.4495850E-04 2.315395 1.3351440E-04 2.319443 1.2588501E-04 2.323490 1.1825562E-04 2.327538 1.0681152E-04 2.331586 9.9182129E-05 2.335634 9.1552734E-05 2.339682 8.7738037E-05 2.343730 8.0108643E-05 2.347778 7.6293945E-05 2.351826 6.8664551E-05 2.355874 6.4849854E-05 2.359921 5.7220459E-05 2.363969 5.3405762E-05 2.368017 4.5776367E-05 2.372065 4.1961670E-05 2.376113 3.8146973E-05 2.380161 3.4332275E-05 2.384209 2.6702881E-05 2.388257 3.0517578E-05 2.392305 2.6702881E-05 2.396353 2.6702881E-05 2.400400 2.2888184E-05 2.404448 1.9073486E-05 2.408496 1.9073486E-05 2.412544 1.5258789E-05 2.416592 1.1444092E-05 2.420640 7.6293945E-06 2.424688 7.6293945E-06 2.428736 7.6293945E-06 2.432784 3.8146973E-06 2.436831 0.0000000E+00 L=0 Npoint= 490 0.0000000E+00 28.37942 4.0478930E-03 28.40677 8.0957860E-03 28.45393 1.2143679E-02 28.51146 1.6191572E-02 28.57586 2.0239465E-02 28.64508 2.4287358E-02 28.71772 2.8335249E-02 28.79273 3.2383144E-02 28.86933 3.6431037E-02 28.94691 4.0478930E-02 29.02495 4.4526823E-02 29.10306 4.8574716E-02 29.18089 5.2622605E-02 29.25813 5.6670498E-02 29.33446 6.0718391E-02 29.40958 6.4766288E-02 29.48325 6.8814181E-02 29.55532 7.2862074E-02 29.62566 7.6909967E-02 29.69420 8.0957860E-02 29.76085 8.5005753E-02 29.82551 8.9053646E-02 29.88811 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