mirror of https://gitlab.com/QEF/q-e.git
74 lines
5.5 KiB
Plaintext
74 lines
5.5 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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-5.83 0.0000 -186.8951879 186.8963088 0.0011209
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-5.67 0.0000 -184.8297967 184.8281578 -0.0016389
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-5.50 0.0001 -181.3786673 181.3789648 0.0002975
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-5.33 0.0002 -176.5536545 176.5524196 -0.0012350
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-5.17 0.0003 -171.0345818 171.0339901 -0.0005917
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-5.00 0.0004 -165.5185820 165.5180715 -0.0005105
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-4.83 0.0006 -160.0010733 159.9994125 -0.0016609
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-4.67 0.0010 -154.4837386 154.4836308 -0.0001078
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-4.50 0.0014 -148.9679266 148.9649747 -0.0029519
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-4.33 0.0021 -143.4496496 143.4490097 -0.0006399
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-4.17 0.0031 -137.9354848 137.9307437 -0.0047410
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-4.00 0.0045 -132.4171647 132.4141653 -0.0029994
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-3.83 0.0064 -126.9046968 126.8967309 -0.0079659
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-3.67 0.0093 -121.3878647 121.3791192 -0.0087455
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-3.50 0.0135 -115.8777104 115.8628793 -0.0148311
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-3.33 0.0195 -110.3648361 110.3439620 -0.0208741
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-3.17 0.0281 -104.8590972 104.8290698 -0.0300273
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-3.00 0.0404 -99.3545143 99.3088383 -0.0456760
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-2.83 0.0583 -93.8583483 93.7951452 -0.0632031
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-2.67 0.0848 -88.3701861 88.2739148 -0.0962714
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-2.50 0.1234 -82.8951091 82.7609442 -0.1341648
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-2.33 0.1795 -77.4402412 77.2393427 -0.2008986
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-2.17 0.2615 -72.0112725 71.7263370 -0.2849355
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-2.00 0.3819 -66.6254572 66.2052250 -0.4202322
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-1.83 0.5563 -61.2958491 60.6912474 -0.6046016
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-1.67 0.8027 -56.0555682 55.1716005 -0.8839678
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-1.50 1.1428 -50.9364596 49.6556326 -1.2808270
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-1.33 1.6011 -45.9966885 44.1383470 -1.8583414
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-1.17 2.1917 -41.3018838 38.6191363 -2.6827475
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-1.00 2.8912 -36.9457947 33.1024848 -3.8433099
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-0.83 3.6206 -33.0326263 27.5900355 -5.4425909
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-0.67 4.2692 -29.6730201 22.1405937 -7.5324264
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-0.50 4.7562 -26.9666530 15.9863060 -10.9803470
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-0.33 5.0681 -24.9851576 9.5398590 -15.4452986
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-0.17 5.2355 -23.7808622 4.9445852 -18.8362770
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0.00 5.2880 -23.3748248 3.3606773 -20.0141475
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0.17 5.2356 -23.7806699 4.9445852 -18.8360847
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0.33 5.0682 -24.9847799 9.5398590 -15.4449209
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0.50 4.7563 -26.9661027 15.9863060 -10.9797967
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0.67 4.2693 -29.6723157 22.1405937 -7.5317220
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0.83 3.6207 -33.0317892 27.5900355 -5.4417537
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1.00 2.8914 -36.9448477 33.1024848 -3.8423629
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1.17 2.1918 -41.3008482 38.6191363 -2.6817119
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1.33 1.6012 -45.9955837 44.1383470 -1.8572366
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1.50 1.1429 -50.9353014 49.6556326 -1.2796687
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1.67 0.8028 -56.0543696 55.1716005 -0.8827691
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1.83 0.5563 -61.2946201 60.6912474 -0.6033727
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2.00 0.3819 -66.6242057 66.2052250 -0.4189807
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2.17 0.2615 -72.0100046 71.7263370 -0.2836676
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2.33 0.1795 -77.4389609 77.2393427 -0.1996183
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2.50 0.1234 -82.8938201 82.7609442 -0.1328759
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2.67 0.0848 -88.3688905 88.2739148 -0.0949757
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2.83 0.0583 -93.8570483 93.7951452 -0.0619031
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3.00 0.0404 -99.3532108 99.3088383 -0.0443725
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3.17 0.0281 -104.8577915 104.8290698 -0.0287216
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3.33 0.0195 -110.3635287 110.3439620 -0.0195667
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3.50 0.0135 -115.8764018 115.8628793 -0.0135225
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3.67 0.0093 -121.3865555 121.3791192 -0.0074363
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3.83 0.0064 -126.9033868 126.8967309 -0.0066559
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4.00 0.0045 -132.4158548 132.4141653 -0.0016895
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4.17 0.0031 -137.9341741 137.9307437 -0.0034304
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4.33 0.0021 -143.4483395 143.4490097 0.0006702
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4.50 0.0014 -148.9666157 148.9649747 -0.0016410
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4.67 0.0010 -154.4824284 154.4836308 0.0012024
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4.83 0.0006 -159.9997624 159.9994125 -0.0003499
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5.00 0.0004 -165.5172718 165.5180715 0.0007997
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5.17 0.0003 -171.0332709 171.0339901 0.0007192
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5.33 0.0002 -176.5523443 176.5524196 0.0000753
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5.50 0.0001 -181.3774691 181.3789648 0.0014957
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5.67 0.0000 -184.8288958 184.8281578 -0.0007381
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5.83 0.0000 -186.8947066 186.8963088 0.0016022
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6.00 0.0000 -187.5881501 187.5867279 -0.0014223
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