iterations/neb0_image03_iter30_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 0.144850824775E+04 0.14485E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224599083024E+03 -0.12239E+04 -0.11481E+04 435 0.163E+02
DAV: 3 -0.362457183712E+03 -0.58706E+03 -0.58343E+03 345 0.114E+02
DAV: 4 -0.433356737268E+03 -0.70900E+02 -0.70670E+02 309 0.508E+01
DAV: 5 -0.434947481135E+03 -0.15907E+01 -0.15880E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389046376393E+03 0.45901E+02 -0.14787E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385602270300E+03 0.34441E+01 -0.13710E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.384133849520E+03 0.14684E+01 -0.21142E+00 336 0.384E+00 0.434E+00
DAV: 9 -0.383594312548E+03 0.53954E+00 -0.17082E+00 336 0.246E+00 0.140E+00
DAV: 10 -0.383527891012E+03 0.66422E-01 -0.34793E-01 336 0.118E+00 0.105E+00
DAV: 11 -0.383501456866E+03 0.26434E-01 -0.24970E-01 345 0.667E-01 0.989E-01
DAV: 12 -0.383478163705E+03 0.23293E-01 -0.24547E-01 327 0.717E-01 0.891E-01
DAV: 13 -0.383462815908E+03 0.15348E-01 -0.16946E-01 354 0.549E-01 0.717E-01
DAV: 14 -0.383449528314E+03 0.13288E-01 -0.45797E-02 336 0.395E-01 0.385E-01
DAV: 15 -0.383446785945E+03 0.27424E-02 -0.15997E-02 309 0.388E-01 0.254E-01
DAV: 16 -0.383451963527E+03 -0.51776E-02 -0.85406E-03 336 0.262E-01 0.192E-01
DAV: 17 -0.383459590360E+03 -0.76268E-02 -0.28604E-03 282 0.163E-01 0.147E-01
DAV: 18 -0.383469591058E+03 -0.10001E-01 -0.29705E-03 345 0.173E-01 0.129E-01
DAV: 19 -0.383474000897E+03 -0.44098E-02 -0.18490E-03 354 0.124E-01 0.972E-02
DAV: 20 -0.383479396594E+03 -0.53957E-02 -0.59869E-04 408 0.967E-02 0.101E-01
DAV: 21 -0.383482677783E+03 -0.32812E-02 -0.83312E-04 300 0.806E-02 0.938E-02
DAV: 22 -0.383484610661E+03 -0.19329E-02 -0.33663E-04 318 0.459E-02 0.980E-02
DAV: 23 -0.383489242060E+03 -0.46314E-02 -0.79159E-04 291 0.540E-02 0.562E-02
DAV: 24 -0.383492953478E+03 -0.37114E-02 -0.38117E-04 318 0.414E-02 0.403E-02
DAV: 25 -0.383494545966E+03 -0.15925E-02 -0.77196E-05 327 0.203E-02 0.366E-02
DAV: 26 -0.383495567756E+03 -0.10218E-02 -0.53489E-05 318 0.205E-02 0.162E-02
DAV: 27 -0.383496746014E+03 -0.11783E-02 -0.56578E-05 318 0.152E-02 0.141E-02
DAV: 28 -0.383497264497E+03 -0.51848E-03 -0.18197E-05 264 0.839E-03 0.143E-02
DAV: 29 -0.383497479064E+03 -0.21457E-03 -0.68554E-06 237 0.669E-03 0.652E-03
DAV: 30 -0.383497745596E+03 -0.26653E-03 -0.11994E-05 219 0.699E-03 0.470E-03
DAV: 31 -0.383497842891E+03 -0.97295E-04 -0.38111E-06 228 0.417E-03 0.369E-03
DAV: 32 -0.383497911450E+03 -0.68560E-04 -0.44859E-06 219 0.410E-03 0.528E-03
DAV: 33 -0.383497939094E+03 -0.27643E-04 -0.23126E-06 228 0.373E-03 0.422E-03
DAV: 34 -0.383497960877E+03 -0.21784E-04 -0.10981E-06 201 0.236E-03 0.217E-03
DAV: 35 -0.383497975149E+03 -0.14272E-04 -0.90451E-07 228 0.208E-03 0.192E-03
DAV: 36 -0.383497988027E+03 -0.12878E-04 -0.49967E-07 210 0.151E-03 0.951E-04
DAV: 37 -0.383497993624E+03 -0.55971E-05 -0.38611E-07 228 0.111E-03
1 F= -.38349799E+03 E0= -.38351475E+03 d E =0.502734E-01