iterations/neb0_image02_iter2_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 0.161783418604E+04 0.16178E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296797097376E+03 -0.13210E+04 -0.12438E+04 420 0.168E+02
DAV: 3 -0.357977968525E+03 -0.65478E+03 -0.65105E+03 364 0.123E+02
DAV: 4 -0.433476225238E+03 -0.75498E+02 -0.75185E+02 316 0.520E+01
DAV: 5 -0.435188391815E+03 -0.17122E+01 -0.17095E+01 332 0.798E+00 0.427E+01
DAV: 6 -0.389125574991E+03 0.46063E+02 -0.15034E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385609932184E+03 0.35156E+01 -0.12460E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384166863820E+03 0.14431E+01 -0.23235E+00 332 0.379E+00 0.427E+00
DAV: 9 -0.383584358863E+03 0.58250E+00 -0.74312E-01 324 0.203E+00 0.106E+00
DAV: 10 -0.383530252898E+03 0.54106E-01 -0.13831E-01 332 0.858E-01 0.785E-01
DAV: 11 -0.383510570282E+03 0.19683E-01 -0.90433E-02 324 0.463E-01 0.587E-01
DAV: 12 -0.383488319058E+03 0.22251E-01 -0.33386E-02 308 0.379E-01 0.329E-01
DAV: 13 -0.383483869377E+03 0.44497E-02 -0.65983E-02 308 0.453E-01 0.368E-01
DAV: 14 -0.383481219097E+03 0.26503E-02 -0.11491E-02 316 0.272E-01 0.162E-01
DAV: 15 -0.383491041156E+03 -0.98221E-02 -0.60657E-03 292 0.205E-01 0.216E-01
DAV: 16 -0.383503840106E+03 -0.12799E-01 -0.40700E-03 316 0.203E-01 0.163E-01
DAV: 17 -0.383511899940E+03 -0.80598E-02 -0.21995E-03 308 0.124E-01 0.617E-02
DAV: 18 -0.383521715212E+03 -0.98153E-02 -0.10552E-03 300 0.728E-02 0.859E-02
DAV: 19 -0.383530047573E+03 -0.83324E-02 -0.59523E-04 324 0.628E-02 0.715E-02
DAV: 20 -0.383536056770E+03 -0.60092E-02 -0.39850E-04 300 0.457E-02 0.207E-02
DAV: 21 -0.383540181968E+03 -0.41252E-02 -0.33125E-04 316 0.335E-02 0.232E-02
DAV: 22 -0.383541336424E+03 -0.11545E-02 -0.52798E-05 292 0.183E-02 0.109E-02
DAV: 23 -0.383542460963E+03 -0.11245E-02 -0.56860E-05 276 0.146E-02 0.739E-03
DAV: 24 -0.383542888994E+03 -0.42803E-03 -0.12865E-05 228 0.769E-03 0.307E-03
DAV: 25 -0.383543145954E+03 -0.25696E-03 -0.15413E-05 244 0.724E-03 0.293E-03
DAV: 26 -0.383543214486E+03 -0.68532E-04 -0.16602E-06 236 0.396E-03 0.214E-03
DAV: 27 -0.383543290168E+03 -0.75683E-04 -0.45075E-06 188 0.563E-03 0.415E-03
DAV: 28 -0.383543321154E+03 -0.30985E-04 -0.11645E-06 220 0.336E-03 0.164E-03
DAV: 29 -0.383543336897E+03 -0.15743E-04 -0.12182E-06 212 0.263E-03 0.544E-04
DAV: 30 -0.383543348589E+03 -0.11692E-04 -0.36031E-07 220 0.134E-03 0.982E-04
DAV: 31 -0.383543356159E+03 -0.75698E-05 -0.21496E-07 212 0.890E-04
1 F= -.38354336E+03 E0= -.38355620E+03 d E =0.385173E-01