./iterations/neb0_image05_iter8_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.151223391153E+04 0.15122E+04 -0.43538E+04 322 0.697E+02
DAV: 2 0.252910805079E+03 -0.12593E+04 -0.11818E+04 428 0.164E+02
DAV: 3 -0.356741198951E+03 -0.60965E+03 -0.60579E+03 356 0.118E+02
DAV: 4 -0.433111831935E+03 -0.76371E+02 -0.76045E+02 308 0.521E+01
DAV: 5 -0.434900564646E+03 -0.17887E+01 -0.17853E+01 332 0.809E+00 0.426E+01
DAV: 6 -0.389075763109E+03 0.45825E+02 -0.14907E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385607082310E+03 0.34687E+01 -0.12453E+01 340 0.778E+00 0.104E+01
DAV: 8 -0.384191992232E+03 0.14151E+01 -0.20840E+00 332 0.378E+00 0.429E+00
DAV: 9 -0.383661377837E+03 0.53061E+00 -0.21409E+00 332 0.238E+00 0.126E+00
DAV: 10 -0.383586943988E+03 0.74434E-01 -0.15215E-01 332 0.105E+00 0.848E-01
DAV: 11 -0.383552606596E+03 0.34337E-01 -0.81683E-02 324 0.737E-01 0.503E-01
DAV: 12 -0.383534130753E+03 0.18476E-01 -0.33495E-02 332 0.510E-01 0.425E-01
DAV: 13 -0.383526602010E+03 0.75287E-02 -0.31847E-02 364 0.360E-01 0.332E-01
DAV: 14 -0.383523815571E+03 0.27864E-02 -0.12059E-02 308 0.319E-01 0.166E-01
DAV: 15 -0.383529855015E+03 -0.60394E-02 -0.10234E-02 324 0.335E-01 0.122E-01
DAV: 16 -0.383539533613E+03 -0.96786E-02 -0.43496E-03 324 0.201E-01 0.987E-02
DAV: 17 -0.383550607211E+03 -0.11074E-01 -0.15519E-03 292 0.143E-01 0.651E-02
DAV: 18 -0.383559581733E+03 -0.89745E-02 -0.16298E-03 316 0.128E-01 0.428E-02
DAV: 19 -0.383567150191E+03 -0.75685E-02 -0.10710E-03 324 0.110E-01 0.322E-02
DAV: 20 -0.383569908489E+03 -0.27583E-02 -0.28509E-04 324 0.527E-02 0.238E-02
DAV: 21 -0.383571859733E+03 -0.19512E-02 -0.13071E-04 316 0.381E-02 0.139E-02
DAV: 22 -0.383574724017E+03 -0.28643E-02 -0.17767E-04 300 0.472E-02 0.119E-02
DAV: 23 -0.383575197641E+03 -0.47362E-03 -0.78866E-05 316 0.232E-02 0.865E-03
DAV: 24 -0.383575598882E+03 -0.40124E-03 -0.10368E-05 212 0.134E-02 0.565E-03
DAV: 25 -0.383576072223E+03 -0.47334E-03 -0.34324E-05 268 0.209E-02 0.424E-03
DAV: 26 -0.383576173142E+03 -0.10092E-03 -0.17310E-05 260 0.116E-02 0.261E-03
DAV: 27 -0.383576229322E+03 -0.56180E-04 -0.29518E-06 228 0.505E-03 0.213E-03
DAV: 28 -0.383576284367E+03 -0.55045E-04 -0.23688E-06 212 0.430E-03 0.153E-03
DAV: 29 -0.383576307353E+03 -0.22985E-04 -0.17387E-06 228 0.370E-03 0.103E-03
DAV: 30 -0.383576320190E+03 -0.12838E-04 -0.82524E-07 228 0.231E-03 0.867E-04
DAV: 31 -0.383576326126E+03 -0.59355E-05 -0.30989E-07 220 0.123E-03
1 F= -.38357633E+03 E0= -.38358478E+03 d E =0.253628E-01