iterations/neb0_image08_iter32_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144903167413E+04 0.14490E+04 -0.44239E+04 330 0.697E+02
DAV: 2 0.232766653996E+03 -0.12163E+04 -0.11408E+04 417 0.163E+02
DAV: 3 -0.362707098299E+03 -0.59547E+03 -0.59188E+03 354 0.115E+02
DAV: 4 -0.432651765345E+03 -0.69945E+02 -0.69686E+02 300 0.498E+01
DAV: 5 -0.434240484139E+03 -0.15887E+01 -0.15854E+01 327 0.776E+00 0.426E+01
DAV: 6 -0.388593838176E+03 0.45647E+02 -0.14830E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385182432371E+03 0.34114E+01 -0.12980E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.383718104237E+03 0.14643E+01 -0.19931E+00 336 0.382E+00 0.433E+00
DAV: 9 -0.383178537343E+03 0.53957E+00 -0.99972E-01 336 0.223E+00 0.108E+00
DAV: 10 -0.383104188703E+03 0.74349E-01 -0.12066E-01 336 0.931E-01 0.950E-01
DAV: 11 -0.383082557473E+03 0.21631E-01 -0.93905E-02 363 0.820E-01 0.106E+00
DAV: 12 -0.383048059604E+03 0.34498E-01 -0.78182E-02 318 0.560E-01 0.438E-01
DAV: 13 -0.383039493453E+03 0.85662E-02 -0.27798E-02 336 0.446E-01 0.706E-01
DAV: 14 -0.383027355884E+03 0.12138E-01 -0.41458E-02 309 0.382E-01 0.268E-01
DAV: 15 -0.383032284949E+03 -0.49291E-02 -0.75762E-03 336 0.267E-01 0.237E-01
DAV: 16 -0.383039310077E+03 -0.70251E-02 -0.27461E-03 300 0.192E-01 0.159E-01
DAV: 17 -0.383049691821E+03 -0.10382E-01 -0.46969E-03 309 0.186E-01 0.168E-01
DAV: 18 -0.383057163438E+03 -0.74716E-02 -0.24021E-03 309 0.153E-01 0.105E-01
DAV: 19 -0.383064296852E+03 -0.71334E-02 -0.94178E-04 327 0.811E-02 0.628E-02
DAV: 20 -0.383071198324E+03 -0.69015E-02 -0.39643E-04 336 0.438E-02 0.286E-02
DAV: 21 -0.383077159506E+03 -0.59612E-02 -0.30241E-04 309 0.349E-02 0.199E-02
DAV: 22 -0.383080273524E+03 -0.31140E-02 -0.15064E-04 309 0.236E-02 0.247E-02
DAV: 23 -0.383082709091E+03 -0.24356E-02 -0.18273E-04 300 0.228E-02 0.135E-02
DAV: 24 -0.383083239296E+03 -0.53020E-03 -0.20337E-05 264 0.102E-02 0.125E-02
DAV: 25 -0.383083842698E+03 -0.60340E-03 -0.35768E-05 237 0.107E-02 0.525E-03
DAV: 26 -0.383084054605E+03 -0.21191E-03 -0.63968E-06 228 0.552E-03 0.446E-03
DAV: 27 -0.383084156158E+03 -0.10155E-03 -0.24664E-06 210 0.299E-03 0.412E-03
DAV: 28 -0.383084296704E+03 -0.14055E-03 -0.63684E-06 201 0.451E-03 0.236E-03
DAV: 29 -0.383084316404E+03 -0.19700E-04 -0.15091E-06 228 0.263E-03 0.168E-03
DAV: 30 -0.383084347799E+03 -0.31394E-04 -0.15592E-06 192 0.258E-03 0.980E-04
DAV: 31 -0.383084357468E+03 -0.96692E-05 -0.52513E-07 219 0.145E-03
1 F= -.38308436E+03 E0= -.38310161E+03 d E =0.517578E-01