iterations/neb0_image07_iter3_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.145159128206E+04 0.14516E+04 -0.44237E+04 330 0.697E+02
DAV: 2 0.229558381925E+03 -0.12220E+04 -0.11468E+04 426 0.163E+02
DAV: 3 -0.360513486123E+03 -0.59007E+03 -0.58672E+03 345 0.114E+02
DAV: 4 -0.432568096479E+03 -0.72055E+02 -0.71780E+02 309 0.512E+01
DAV: 5 -0.434206668312E+03 -0.16386E+01 -0.16355E+01 318 0.795E+00 0.426E+01
DAV: 6 -0.388515322183E+03 0.45691E+02 -0.14671E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385058648152E+03 0.34567E+01 -0.13295E+01 345 0.785E+00 0.104E+01
DAV: 8 -0.383617820927E+03 0.14408E+01 -0.21674E+00 336 0.390E+00 0.430E+00
DAV: 9 -0.383064716871E+03 0.55310E+00 -0.69999E-01 336 0.226E+00 0.136E+00
DAV: 10 -0.383019365314E+03 0.45352E-01 -0.77674E-01 354 0.130E+00 0.795E-01
DAV: 11 -0.382988115608E+03 0.31250E-01 -0.37566E-02 327 0.514E-01 0.621E-01
DAV: 12 -0.382952602237E+03 0.35513E-01 -0.61452E-02 354 0.666E-01 0.453E-01
DAV: 13 -0.382940137238E+03 0.12465E-01 -0.22024E-02 327 0.462E-01 0.289E-01
DAV: 14 -0.382941662402E+03 -0.15252E-02 -0.13631E-02 327 0.298E-01 0.303E-01
DAV: 15 -0.382943779104E+03 -0.21167E-02 -0.13190E-02 327 0.197E-01 0.258E-01
DAV: 16 -0.382950629633E+03 -0.68505E-02 -0.52691E-03 291 0.266E-01 0.231E-01
DAV: 17 -0.382955692404E+03 -0.50628E-02 -0.27443E-03 327 0.157E-01 0.159E-01
DAV: 18 -0.382960438887E+03 -0.47465E-02 -0.93203E-04 300 0.942E-02 0.958E-02
DAV: 19 -0.382970037413E+03 -0.95985E-02 -0.10844E-03 309 0.110E-01 0.671E-02
DAV: 20 -0.382977566714E+03 -0.75293E-02 -0.12111E-03 318 0.881E-02 0.562E-02
DAV: 21 -0.382981437079E+03 -0.38704E-02 -0.35816E-04 327 0.504E-02 0.302E-02
DAV: 22 -0.382985191159E+03 -0.37541E-02 -0.16892E-04 318 0.275E-02 0.212E-02
DAV: 23 -0.382988363980E+03 -0.31728E-02 -0.15863E-04 300 0.250E-02 0.122E-02
DAV: 24 -0.382990591433E+03 -0.22275E-02 -0.13231E-04 300 0.200E-02 0.190E-02
DAV: 25 -0.382991211509E+03 -0.62008E-03 -0.31475E-05 255 0.115E-02 0.658E-03
DAV: 26 -0.382991663168E+03 -0.45166E-03 -0.15209E-05 210 0.785E-03 0.421E-03
DAV: 27 -0.382991905517E+03 -0.24235E-03 -0.84048E-06 219 0.540E-03 0.371E-03
DAV: 28 -0.382992035905E+03 -0.13039E-03 -0.54130E-06 219 0.628E-03 0.250E-03
DAV: 29 -0.382992111361E+03 -0.75455E-04 -0.30931E-06 210 0.384E-03 0.206E-03
DAV: 30 -0.382992144981E+03 -0.33620E-04 -0.17225E-06 210 0.320E-03 0.142E-03
DAV: 31 -0.382992165888E+03 -0.20908E-04 -0.96727E-07 219 0.212E-03 0.916E-04
DAV: 32 -0.382992175816E+03 -0.99279E-05 -0.44954E-07 210 0.144E-03
1 F= -.38299218E+03 E0= -.38300913E+03 d E =0.508627E-01