iterations/neb0_image04_iter10_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161905369139E+04 0.16191E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.298064011557E+03 -0.13210E+04 -0.12420E+04 420 0.168E+02
DAV: 3 -0.354126473290E+03 -0.65219E+03 -0.64863E+03 356 0.123E+02
DAV: 4 -0.433266424321E+03 -0.79140E+02 -0.78800E+02 316 0.540E+01
DAV: 5 -0.435111573675E+03 -0.18451E+01 -0.18429E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389070575908E+03 0.46041E+02 -0.15049E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385568395245E+03 0.35022E+01 -0.12406E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384136328672E+03 0.14321E+01 -0.26200E+00 332 0.388E+00 0.429E+00
DAV: 9 -0.383560790676E+03 0.57554E+00 -0.61385E-01 332 0.194E+00 0.102E+00
DAV: 10 -0.383516783850E+03 0.44007E-01 -0.38987E-01 340 0.112E+00 0.116E+00
DAV: 11 -0.383492901793E+03 0.23882E-01 -0.18016E-01 316 0.530E-01 0.743E-01
DAV: 12 -0.383483745920E+03 0.91559E-02 -0.55792E-02 324 0.363E-01 0.565E-01
DAV: 13 -0.383469042402E+03 0.14704E-01 -0.10725E-01 340 0.475E-01 0.599E-01
DAV: 14 -0.383461031417E+03 0.80110E-02 -0.51006E-02 324 0.322E-01 0.220E-01
DAV: 15 -0.383463162679E+03 -0.21313E-02 -0.82499E-03 308 0.270E-01 0.190E-01
DAV: 16 -0.383473346547E+03 -0.10184E-01 -0.39133E-03 308 0.183E-01 0.146E-01
DAV: 17 -0.383487356536E+03 -0.14010E-01 -0.35381E-03 316 0.177E-01 0.735E-02
DAV: 18 -0.383496080192E+03 -0.87237E-02 -0.22953E-03 316 0.129E-01 0.770E-02
DAV: 19 -0.383503502232E+03 -0.74220E-02 -0.73270E-04 332 0.616E-02 0.601E-02
DAV: 20 -0.383510824836E+03 -0.73226E-02 -0.48232E-04 308 0.444E-02 0.346E-02
DAV: 21 -0.383515115735E+03 -0.42909E-02 -0.20798E-04 308 0.306E-02 0.223E-02
DAV: 22 -0.383517728093E+03 -0.26124E-02 -0.15441E-04 308 0.259E-02 0.149E-02
DAV: 23 -0.383519535264E+03 -0.18072E-02 -0.80162E-05 308 0.180E-02 0.868E-03
DAV: 24 -0.383520457438E+03 -0.92217E-03 -0.37985E-05 284 0.128E-02 0.710E-03
DAV: 25 -0.383521018379E+03 -0.56094E-03 -0.25923E-05 244 0.108E-02 0.464E-03
DAV: 26 -0.383521257239E+03 -0.23886E-03 -0.99421E-06 228 0.643E-03 0.435E-03
DAV: 27 -0.383521371312E+03 -0.11407E-03 -0.63844E-06 204 0.644E-03 0.206E-03
DAV: 28 -0.383521406145E+03 -0.34833E-04 -0.18851E-06 236 0.331E-03 0.191E-03
DAV: 29 -0.383521451888E+03 -0.45743E-04 -0.16097E-06 188 0.312E-03 0.120E-03
DAV: 30 -0.383521484106E+03 -0.32218E-04 -0.18105E-06 220 0.297E-03 0.144E-03
DAV: 31 -0.383521490271E+03 -0.61649E-05 -0.55866E-07 228 0.234E-03
1 F= -.38352149E+03 E0= -.38353474E+03 d E =0.397403E-01