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 0.0000064 397.7264104 -397.2431476 0.4832629
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-5.83 0.0000066 397.7264100 -397.2403633 0.4860467
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-5.67 0.0000260 397.7264084 -397.2429111 0.4834973
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-5.50 0.0000707 397.7264024 -397.2408180 0.4855843
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-5.33 0.0001374 397.7263853 -397.2422734 0.4841119
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-5.17 0.0002326 397.7263468 -397.2415849 0.4847619
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-5.00 0.0003822 397.7262719 -397.2414196 0.4848523
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-4.83 0.0006125 397.7261374 -397.2424220 0.4837154
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-4.67 0.0009346 397.7259079 -397.2406220 0.4852859
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-4.50 0.0013745 397.7255337 -397.2430682 0.4824655
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-4.33 0.0020171 397.7249463 -397.2401389 0.4848074
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-4.17 0.0029850 397.7240456 -397.2433001 0.4807455
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-4.00 0.0043831 397.7226819 -397.2401455 0.4825364
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-3.83 0.0063401 397.7206394 -397.2430065 0.4776330
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-3.67 0.0091503 397.7176146 -397.2406821 0.4769325
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-3.50 0.0133028 397.7131703 -397.2422238 0.4709464
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-3.33 0.0193511 397.7066630 -397.2416361 0.4650268
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-3.17 0.0279339 397.6971580 -397.2411329 0.4560250
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-3.00 0.0401654 397.6833259 -397.2427665 0.4405594
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-2.83 0.0580598 397.6632664 -397.2400161 0.4232504
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-2.67 0.0845034 397.6342002 -397.2437619 0.3904382
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-2.50 0.1231550 397.5920282 -397.2391878 0.3528404
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-2.33 0.1792598 397.5307611 -397.2443195 0.2864416
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-2.17 0.2612934 397.4416928 -397.2389184 0.2027744
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-2.00 0.3817821 397.3120904 -397.2442164 0.0678740
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-1.83 0.5563346 397.1232881 -397.2393750 -0.1160869
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-1.67 0.8028717 396.8483068 -397.2433574 -0.3950507
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-1.50 1.1430504 396.4490869 -397.2406195 -0.7915326
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-1.33 1.6014020 395.8731723 -397.2418837 -1.3687114
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-1.17 2.1920454 395.0501180 -397.2429530 -2.1928350
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-1.00 2.8915466 393.8896880 -397.2428618 -3.3531738
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-0.83 3.6206911 392.2857063 -397.2379868 -4.9522805
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-0.67 4.2688285 390.1278848 -397.1698399 -7.0419551
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-0.50 4.7551420 387.3179523 -397.8076104 -10.4896581
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-0.33 5.0663404 383.7815283 -398.7357646 -14.9542364
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-0.17 5.2331387 379.4704936 -397.8150672 -18.3445736
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0.00 5.2854679 374.3588928 -393.8803361 -19.5214433
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0.17 5.2337083 368.4385752 -386.7805748 -18.3419996
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0.33 5.0680667 361.7175963 -376.6667799 -14.9491836
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0.50 4.7587909 354.2217322 -364.7041333 -10.4824011
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0.67 4.2749340 345.9988104 -353.0318704 -7.0330601
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0.83 3.6293593 337.1228404 -342.0655249 -4.9426845
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1.00 2.9024291 327.6917068 -331.0359076 -3.3442008
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1.17 2.2044451 317.8153627 -320.0015064 -2.1861437
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1.33 1.6144886 307.5997533 -308.9659447 -1.3661914
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1.50 1.1560682 297.1350083 -297.9301882 -0.7951799
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1.67 0.8152248 286.4915811 -286.8984337 -0.4068527
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1.83 0.5675884 275.7220276 -275.8599589 -0.1379313
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2.00 0.3916753 264.8645739 -264.8303080 0.0342659
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2.17 0.2697524 253.9464049 -253.7905176 0.1558873
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2.33 0.1863559 242.9864044 -242.7614263 0.2249781
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2.50 0.1290252 231.9975134 -231.7218022 0.2757112
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2.67 0.0893021 220.9886257 -220.6918840 0.2967417
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2.83 0.0619521 209.9658948 -209.6536458 0.3122489
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3.00 0.0433188 198.9335583 -198.6219038 0.3116545
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3.17 0.0304906 187.8945093 -187.5857779 0.3087314
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3.33 0.0214128 176.8507402 -176.5517888 0.2989514
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3.50 0.0149446 165.8036564 -165.5178840 0.2857723
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3.67 0.0104419 154.7542571 -154.4818499 0.2724072
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3.83 0.0073484 143.7032396 -143.4496819 0.2535577
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4.00 0.0051639 132.6510844 -132.4123286 0.2387558
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4.17 0.0035824 121.5981303 -121.3809909 0.2171394
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4.33 0.0024700 110.5446211 -110.3433373 0.2012838
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4.50 0.0017174 99.4907287 -99.3117742 0.1789545
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4.67 0.0011934 88.4365703 -88.2748357 0.1617346
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4.83 0.0008045 77.3822273 -77.2421433 0.1400840
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5.00 0.0005217 66.3277596 -66.2066485 0.1211111
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5.17 0.0003332 55.2732108 -55.1723214 0.1008894
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5.33 0.0002095 44.2186100 -44.1385176 0.0800925
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5.50 0.0001198 33.1639768 -33.1025698 0.0614070
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5.67 0.0000553 22.1093249 -22.0701705 0.0391544
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5.83 0.0000197 11.0546641 -11.0331304 0.0215337
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