mirror of https://gitlab.com/QEF/q-e.git
74 lines
5.9 KiB
Plaintext
74 lines
5.9 KiB
Plaintext
#z (A) Tot chg (e/A) Avg v_hartree (eV) Avg v_local (eV) Avg v_hart+v_loc (eV)
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-6.00 0.0000048 397.2069426 -397.2431476 -0.0362050
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-5.83 0.0000100 397.2069422 -397.2403633 -0.0334211
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-5.67 0.0000337 397.2069400 -397.2429111 -0.0359711
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-5.50 0.0000816 397.2069323 -397.2408180 -0.0338857
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-5.33 0.0001505 397.2069119 -397.2422734 -0.0353615
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-5.17 0.0002476 397.2068680 -397.2415849 -0.0347168
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-5.00 0.0003995 397.2067855 -397.2414196 -0.0346341
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-4.83 0.0006327 397.2066408 -397.2424220 -0.0357812
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-4.67 0.0009579 397.2063978 -397.2406220 -0.0342242
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-4.50 0.0014010 397.2060066 -397.2430682 -0.0370615
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-4.33 0.0020473 397.2053982 -397.2401389 -0.0347407
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-4.17 0.0030199 397.2044718 -397.2433001 -0.0388283
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-4.00 0.0044242 397.2030770 -397.2401455 -0.0370685
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-3.83 0.0063897 397.2009972 -397.2430065 -0.0420092
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-3.67 0.0092117 397.1979273 -397.2406821 -0.0427547
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-3.50 0.0133782 397.1934286 -397.2422238 -0.0487953
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-3.33 0.0194405 397.1868553 -397.2416361 -0.0547809
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-3.17 0.0280356 397.1772705 -397.2411329 -0.0638624
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-3.00 0.0402777 397.1633432 -397.2427665 -0.0794232
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-2.83 0.0581805 397.1431713 -397.2400161 -0.0968447
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-2.67 0.0846268 397.1139742 -397.2437619 -0.1297877
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-2.50 0.1232670 397.0716526 -397.2391878 -0.1675352
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-2.33 0.1793333 397.0102191 -397.2443195 -0.2341004
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-2.17 0.2612817 396.9209738 -397.2389184 -0.3179447
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-2.00 0.3816141 396.7911970 -397.2442164 -0.4530195
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-1.83 0.5559188 396.6022471 -397.2393750 -0.6371279
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-1.67 0.8021116 396.3271833 -397.2433574 -0.9161741
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-1.50 1.1418620 395.9279985 -397.2406195 -1.3126210
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-1.33 1.5997363 395.3523017 -397.2418837 -1.8895819
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-1.17 2.1899396 394.5297201 -397.2429530 -2.7132328
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-1.00 2.8891925 393.3700832 -397.2428618 -3.8727787
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-0.83 3.6184512 391.7672506 -397.2379868 -5.4707362
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-0.67 4.2671614 389.6109156 -397.1698399 -7.5589243
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-0.50 4.7544855 386.8027194 -397.8076104 -11.0048910
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-0.33 5.0669892 383.2681284 -398.7357646 -15.4676363
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-0.17 5.2350925 378.9588272 -397.8150672 -18.8562400
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0.00 5.2882713 373.8486663 -393.8803361 -20.0316699
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0.17 5.2364261 367.9293709 -386.7805748 -18.8512039
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0.33 5.0695113 361.2090132 -376.6667799 -15.4577666
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0.50 4.7578878 353.7135629 -364.7041333 -10.9905704
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0.67 4.2710169 345.4912018 -353.0318704 -7.5406686
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0.83 3.6223251 336.6163943 -342.0655249 -5.4491306
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1.00 2.8927442 327.1874950 -331.0359076 -3.8484126
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1.17 2.1929719 317.3148583 -320.0015064 -2.6866481
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1.33 1.6021922 307.1047022 -308.9659447 -1.8612425
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1.50 1.1437860 296.6472843 -297.9301882 -1.2829039
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1.67 0.8035966 286.0130584 -286.8984337 -0.8853754
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1.83 0.5570626 275.2544826 -275.8599589 -0.6054764
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2.00 0.3824992 264.4096165 -264.8303080 -0.4206915
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2.17 0.2619725 253.5054408 -253.7905176 -0.2850768
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2.33 0.1798794 242.5606273 -242.7614263 -0.2007990
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2.50 0.1237052 231.5879177 -231.7218022 -0.1338845
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2.67 0.0849830 220.5960287 -220.6918840 -0.0958553
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2.83 0.0584731 209.5909605 -209.6536458 -0.0626853
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3.00 0.0405211 198.5768219 -198.6219038 -0.0450819
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3.17 0.0282404 187.5564014 -187.5857779 -0.0293765
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3.33 0.0196133 176.5316067 -176.5517888 -0.0201820
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3.50 0.0135225 165.5037742 -165.5178840 -0.0141099
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3.67 0.0093303 154.4738449 -154.4818499 -0.0080050
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3.83 0.0064855 143.4424686 -143.4496819 -0.0072133
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4.00 0.0044998 132.4100875 -132.4123286 -0.0022411
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4.17 0.0030779 121.3770097 -121.3809909 -0.0039812
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4.33 0.0020906 110.3434546 -110.3433373 0.0001174
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4.50 0.0014328 99.3095749 -99.3117742 -0.0021993
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4.67 0.0009813 88.2754731 -88.2748357 0.0006374
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4.83 0.0006499 77.2412193 -77.2421433 -0.0009240
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5.00 0.0004121 66.2068648 -66.2066485 0.0002162
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5.17 0.0002568 55.1724460 -55.1723214 0.0001246
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5.33 0.0001571 44.1379872 -44.1385176 -0.0005304
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5.50 0.0000861 33.1035039 -33.1025698 0.0009341
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5.67 0.0000364 22.0690072 -22.0701705 -0.0011633
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5.83 0.0000112 11.0345046 -11.0331304 0.0013742
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