iterations/neb0_image05_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 0.161935408824E+04 0.16194E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.300025197206E+03 -0.13193E+04 -0.12413E+04 420 0.168E+02
DAV: 3 -0.358306860989E+03 -0.65833E+03 -0.65478E+03 364 0.123E+02
DAV: 4 -0.433296261632E+03 -0.74989E+02 -0.74712E+02 308 0.528E+01
DAV: 5 -0.434964045844E+03 -0.16678E+01 -0.16651E+01 340 0.807E+00 0.426E+01
DAV: 6 -0.389002521863E+03 0.45962E+02 -0.14974E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385508192804E+03 0.34943E+01 -0.12500E+01 340 0.769E+00 0.104E+01
DAV: 8 -0.384079924594E+03 0.14283E+01 -0.22401E+00 332 0.378E+00 0.426E+00
DAV: 9 -0.383510426687E+03 0.56950E+00 -0.73864E-01 324 0.201E+00 0.103E+00
DAV: 10 -0.383452668633E+03 0.57758E-01 -0.11607E-01 332 0.869E-01 0.733E-01
DAV: 11 -0.383432887847E+03 0.19781E-01 -0.48016E-02 316 0.458E-01 0.631E-01
DAV: 12 -0.383422234389E+03 0.10653E-01 -0.16327E-01 348 0.457E-01 0.443E-01
DAV: 13 -0.383411838322E+03 0.10396E-01 -0.21409E-02 308 0.356E-01 0.402E-01
DAV: 14 -0.383408588104E+03 0.32502E-02 -0.32281E-02 324 0.353E-01 0.278E-01
DAV: 15 -0.383414409590E+03 -0.58215E-02 -0.13173E-02 324 0.247E-01 0.206E-01
DAV: 16 -0.383422585363E+03 -0.81758E-02 -0.26983E-03 300 0.146E-01 0.976E-02
DAV: 17 -0.383439607515E+03 -0.17022E-01 -0.41371E-03 276 0.158E-01 0.951E-02
DAV: 18 -0.383444285210E+03 -0.46777E-02 -0.12436E-03 332 0.898E-02 0.744E-02
DAV: 19 -0.383451645788E+03 -0.73606E-02 -0.43579E-04 284 0.549E-02 0.463E-02
DAV: 20 -0.383461762321E+03 -0.10117E-01 -0.89792E-04 300 0.575E-02 0.315E-02
DAV: 21 -0.383462373986E+03 -0.61166E-03 -0.64829E-05 300 0.215E-02 0.283E-02
DAV: 22 -0.383464999339E+03 -0.26254E-02 -0.16464E-04 300 0.282E-02 0.194E-02
DAV: 23 -0.383466360063E+03 -0.13607E-02 -0.58545E-05 300 0.160E-02 0.182E-02
DAV: 24 -0.383467369719E+03 -0.10097E-02 -0.51229E-05 276 0.145E-02 0.472E-03
DAV: 25 -0.383467661724E+03 -0.29201E-03 -0.90105E-06 236 0.664E-03 0.353E-03
DAV: 26 -0.383467933552E+03 -0.27183E-03 -0.10244E-05 204 0.541E-03 0.188E-03
DAV: 27 -0.383468045643E+03 -0.11209E-03 -0.44246E-06 228 0.366E-03 0.200E-03
DAV: 28 -0.383468105550E+03 -0.59907E-04 -0.21452E-06 204 0.340E-03 0.953E-04
DAV: 29 -0.383468133304E+03 -0.27754E-04 -0.18836E-06 220 0.286E-03 0.172E-03
DAV: 30 -0.383468142912E+03 -0.96083E-05 -0.49476E-07 228 0.204E-03
1 F= -.38346814E+03 E0= -.38348098E+03 d E =0.385025E-01