iterations/neb0_image07_iter12_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 0.150886790656E+04 0.15089E+04 -0.43574E+04 322 0.697E+02
DAV: 2 0.249631716327E+03 -0.12592E+04 -0.11845E+04 428 0.164E+02
DAV: 3 -0.356233670627E+03 -0.60587E+03 -0.60194E+03 348 0.117E+02
DAV: 4 -0.433160631455E+03 -0.76927E+02 -0.76608E+02 316 0.531E+01
DAV: 5 -0.434964798276E+03 -0.18042E+01 -0.18012E+01 332 0.816E+00 0.427E+01
DAV: 6 -0.388805195303E+03 0.46160E+02 -0.14924E+02 324 0.285E+01 0.209E+01
DAV: 7 -0.385271727558E+03 0.35335E+01 -0.12943E+01 340 0.778E+00 0.104E+01
DAV: 8 -0.383846364685E+03 0.14254E+01 -0.24860E+00 332 0.393E+00 0.426E+00
DAV: 9 -0.383288335434E+03 0.55803E+00 -0.61238E-01 332 0.193E+00 0.968E-01
DAV: 10 -0.383227940014E+03 0.60395E-01 -0.14488E-01 340 0.972E-01 0.744E-01
DAV: 11 -0.383211355636E+03 0.16584E-01 -0.57397E-02 364 0.511E-01 0.751E-01
DAV: 12 -0.383202234427E+03 0.91212E-02 -0.94086E-02 316 0.329E-01 0.481E-01
DAV: 13 -0.383190115552E+03 0.12119E-01 -0.38693E-02 308 0.361E-01 0.329E-01
DAV: 14 -0.383191244613E+03 -0.11291E-02 -0.41179E-02 348 0.298E-01 0.301E-01
DAV: 15 -0.383191487579E+03 -0.24297E-03 -0.19503E-02 292 0.271E-01 0.280E-01
DAV: 16 -0.383205490445E+03 -0.14003E-01 -0.14485E-02 308 0.261E-01 0.271E-01
DAV: 17 -0.383216399599E+03 -0.10909E-01 -0.16918E-02 300 0.219E-01 0.220E-01
DAV: 18 -0.383221622730E+03 -0.52231E-02 -0.30958E-03 316 0.120E-01 0.898E-02
DAV: 19 -0.383228888612E+03 -0.72659E-02 -0.77910E-04 292 0.678E-02 0.808E-02
DAV: 20 -0.383233290642E+03 -0.44020E-02 -0.64981E-04 364 0.484E-02 0.328E-02
DAV: 21 -0.383240583920E+03 -0.72933E-02 -0.51244E-04 300 0.469E-02 0.278E-02
DAV: 22 -0.383242761650E+03 -0.21777E-02 -0.10121E-04 316 0.230E-02 0.199E-02
DAV: 23 -0.383244613947E+03 -0.18523E-02 -0.92265E-05 308 0.201E-02 0.130E-02
DAV: 24 -0.383245704931E+03 -0.10910E-02 -0.45977E-05 276 0.145E-02 0.851E-03
DAV: 25 -0.383246143887E+03 -0.43896E-03 -0.21259E-05 244 0.956E-03 0.397E-03
DAV: 26 -0.383246433492E+03 -0.28961E-03 -0.94560E-06 220 0.605E-03 0.345E-03
DAV: 27 -0.383246584748E+03 -0.15126E-03 -0.56684E-06 228 0.483E-03 0.278E-03
DAV: 28 -0.383246673330E+03 -0.88582E-04 -0.44261E-06 212 0.364E-03 0.164E-03
DAV: 29 -0.383246688177E+03 -0.14847E-04 -0.10598E-06 236 0.261E-03 0.105E-03
DAV: 30 -0.383246714355E+03 -0.26178E-04 -0.17339E-06 212 0.317E-03 0.156E-03
DAV: 31 -0.383246721052E+03 -0.66967E-05 -0.45664E-07 228 0.181E-03
1 F= -.38324672E+03 E0= -.38326010E+03 d E =0.401292E-01