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 0.0000060 397.7427893 -397.2431476 0.4996417
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-5.83 0.0000069 397.7427889 -397.2403633 0.5024255
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-5.67 0.0000271 397.7427872 -397.2429111 0.4998761
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-5.50 0.0000726 397.7427810 -397.2408180 0.5019629
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-5.33 0.0001402 397.7427634 -397.2422734 0.5004900
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-5.17 0.0002365 397.7427239 -397.2415849 0.5011391
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-5.00 0.0003878 397.7426476 -397.2414196 0.5012280
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-4.83 0.0006205 397.7425107 -397.2424220 0.5000887
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-4.67 0.0009457 397.7422776 -397.2406220 0.5016556
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-4.50 0.0013896 397.7418981 -397.2430682 0.4988299
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-4.33 0.0020375 397.7413030 -397.2401389 0.5011641
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-4.17 0.0030123 397.7403915 -397.2433001 0.4970914
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-4.00 0.0044191 397.7390128 -397.2401455 0.4988673
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-3.83 0.0063866 397.7369498 -397.2430065 0.4939433
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-3.67 0.0092089 397.7338972 -397.2406821 0.4932152
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-3.50 0.0133745 397.7294162 -397.2422238 0.4871924
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-3.33 0.0194358 397.7228613 -397.2416361 0.4812252
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-3.17 0.0280312 397.7132956 -397.2411329 0.4721627
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-3.00 0.0402764 397.6993880 -397.2427665 0.4566216
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-2.83 0.0581882 397.6792360 -397.2400161 0.4392199
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-2.67 0.0846549 397.6500573 -397.2437619 0.4062954
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-2.50 0.1233350 397.6077496 -397.2391878 0.3685618
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-2.33 0.1794718 397.5463192 -397.2443195 0.3019998
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-2.17 0.2615404 397.4570552 -397.2389184 0.2181367
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-2.00 0.3820691 397.3272190 -397.2442164 0.0830026
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-1.83 0.5566726 397.1381388 -397.2393750 -0.1012362
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-1.67 0.8032808 396.8628275 -397.2433574 -0.3805299
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-1.50 1.1435563 396.4632147 -397.2406195 -0.7774048
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-1.33 1.6020217 395.8868294 -397.2418837 -1.3550543
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-1.17 2.1927671 395.0632095 -397.2429530 -2.1797435
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-1.00 2.8923181 393.9021040 -397.2428618 -3.3407578
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-0.83 3.6214264 392.2973297 -397.2379868 -4.9406570
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-0.67 4.2694231 390.1386043 -397.1698399 -7.0312356
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-0.50 4.7554880 387.3276781 -397.8076104 -10.4799323
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-0.33 5.0663516 383.7902084 -398.7357646 -14.9455562
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-0.17 5.2327866 379.4781269 -397.8150672 -18.3369403
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0.00 5.2848012 374.3655325 -393.8803361 -19.5148037
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0.17 5.2328366 368.4443220 -386.7805748 -18.3362528
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0.33 5.0671244 361.7225821 -376.6667799 -14.9441978
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0.50 4.7579026 354.2260998 -364.7041333 -10.4780335
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0.67 4.2741888 346.0026947 -353.0318704 -7.0291757
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0.83 3.6287998 337.1263553 -342.0655249 -4.9391696
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1.00 2.9020547 327.6949379 -331.0359076 -3.3409697
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1.17 2.2042256 317.8183678 -320.0015064 -2.1831386
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1.33 1.6143797 307.6025666 -308.9659447 -1.3633781
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1.50 1.1560242 297.1376471 -297.9301882 -0.7925411
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1.67 0.8152082 286.4940526 -286.8984337 -0.4043811
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1.83 0.5675752 275.7243348 -275.8599589 -0.1356241
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2.00 0.3916543 264.8667189 -264.8303080 0.0364109
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2.17 0.2697206 253.9483909 -253.7905176 0.1578733
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2.33 0.1863139 242.9882363 -242.7614263 0.2268099
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2.50 0.1289754 231.9991976 -231.7218022 0.2773953
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2.67 0.0892478 220.9901697 -220.6918840 0.2982857
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2.83 0.0618962 209.9673069 -209.6536458 0.3136611
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3.00 0.0432624 198.9348471 -198.6219038 0.3129434
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3.17 0.0304343 187.8956835 -187.5857779 0.3099056
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3.33 0.0213578 176.8518084 -176.5517888 0.3000196
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3.50 0.0148933 165.8046269 -165.5178840 0.2867429
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3.67 0.0103962 154.7551379 -154.4818499 0.2732879
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3.83 0.0073092 143.7040375 -143.4496819 0.2543556
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4.00 0.0051310 132.6518055 -132.4123286 0.2394769
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4.17 0.0035556 121.5987796 -121.3809909 0.2177888
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4.33 0.0024489 110.5452028 -110.3433373 0.2018655
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4.50 0.0017013 99.4912461 -99.3117742 0.1794719
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4.67 0.0011812 88.4370257 -88.2748357 0.1621900
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4.83 0.0007954 77.3826226 -77.2421433 0.1404794
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5.00 0.0005147 66.3280964 -66.2066485 0.1214478
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5.17 0.0003279 55.2734900 -55.1723214 0.1011686
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5.33 0.0002055 44.2188325 -44.1385176 0.0803149
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5.50 0.0001170 33.1641431 -33.1025698 0.0615733
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5.67 0.0000535 22.1094355 -22.0701705 0.0392650
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5.83 0.0000187 11.0547193 -11.0331304 0.0215889
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