iterations/neb0_image07_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 0.150884512437E+04 0.15088E+04 -0.43573E+04 322 0.697E+02
DAV: 2 0.249707918122E+03 -0.12591E+04 -0.11842E+04 428 0.164E+02
DAV: 3 -0.356139171727E+03 -0.60585E+03 -0.60191E+03 348 0.117E+02
DAV: 4 -0.433118436651E+03 -0.76979E+02 -0.76659E+02 316 0.531E+01
DAV: 5 -0.434923963782E+03 -0.18055E+01 -0.18025E+01 332 0.816E+00 0.427E+01
DAV: 6 -0.388782787479E+03 0.46141E+02 -0.14916E+02 324 0.285E+01 0.209E+01
DAV: 7 -0.385262670981E+03 0.35201E+01 -0.13087E+01 340 0.779E+00 0.104E+01
DAV: 8 -0.383827299588E+03 0.14354E+01 -0.22282E+00 324 0.390E+00 0.426E+00
DAV: 9 -0.383268956750E+03 0.55834E+00 -0.62292E-01 332 0.193E+00 0.976E-01
DAV: 10 -0.383213547537E+03 0.55409E-01 -0.16322E-01 348 0.973E-01 0.782E-01
DAV: 11 -0.383197687844E+03 0.15860E-01 -0.77413E-02 340 0.480E-01 0.588E-01
DAV: 12 -0.383181062276E+03 0.16626E-01 -0.44466E-02 308 0.403E-01 0.531E-01
DAV: 13 -0.383178567368E+03 0.24949E-02 -0.40702E-02 340 0.301E-01 0.418E-01
DAV: 14 -0.383172900515E+03 0.56669E-02 -0.32145E-02 300 0.371E-01 0.292E-01
DAV: 15 -0.383178924975E+03 -0.60245E-02 -0.12673E-02 308 0.294E-01 0.176E-01
DAV: 16 -0.383189353043E+03 -0.10428E-01 -0.45833E-03 332 0.209E-01 0.170E-01
DAV: 17 -0.383196830398E+03 -0.74774E-02 -0.35187E-03 332 0.168E-01 0.102E-01
DAV: 18 -0.383204917697E+03 -0.80873E-02 -0.40786E-03 340 0.160E-01 0.131E-01
DAV: 19 -0.383206137818E+03 -0.12201E-02 -0.23449E-03 332 0.790E-02 0.766E-02
DAV: 20 -0.383210877031E+03 -0.47392E-02 -0.51179E-04 268 0.509E-02 0.458E-02
DAV: 21 -0.383217848055E+03 -0.69710E-02 -0.69307E-04 324 0.640E-02 0.341E-02
DAV: 22 -0.383223097453E+03 -0.52494E-02 -0.33172E-04 308 0.454E-02 0.327E-02
DAV: 23 -0.383225882612E+03 -0.27852E-02 -0.18312E-04 308 0.298E-02 0.143E-02
DAV: 24 -0.383227247165E+03 -0.13646E-02 -0.97116E-05 308 0.192E-02 0.137E-02
DAV: 25 -0.383227917817E+03 -0.67065E-03 -0.30357E-05 244 0.112E-02 0.833E-03
DAV: 26 -0.383228396527E+03 -0.47871E-03 -0.28065E-05 244 0.981E-03 0.488E-03
DAV: 27 -0.383228575920E+03 -0.17939E-03 -0.70847E-06 228 0.641E-03 0.441E-03
DAV: 28 -0.383228676212E+03 -0.10029E-03 -0.59386E-06 220 0.506E-03 0.276E-03
DAV: 29 -0.383228754138E+03 -0.77926E-04 -0.31560E-06 204 0.355E-03 0.160E-03
DAV: 30 -0.383228782285E+03 -0.28147E-04 -0.13050E-06 228 0.203E-03 0.898E-04
DAV: 31 -0.383228806410E+03 -0.24126E-04 -0.94441E-07 204 0.203E-03 0.672E-04
DAV: 32 -0.383228819936E+03 -0.13525E-04 -0.61560E-07 228 0.153E-03 0.594E-04
DAV: 33 -0.383228824364E+03 -0.44284E-05 -0.22015E-07 228 0.105E-03
1 F= -.38322882E+03 E0= -.38324614E+03 d E =0.519437E-01