./iterations/neb0_image06_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 0.162831427165E+04 0.16283E+04 -0.42282E+04 306 0.696E+02
DAV: 2 0.303221647087E+03 -0.13251E+04 -0.12465E+04 420 0.167E+02
DAV: 3 -0.352258750725E+03 -0.65548E+03 -0.65034E+03 356 0.123E+02
DAV: 4 -0.432927616796E+03 -0.80669E+02 -0.80322E+02 308 0.545E+01
DAV: 5 -0.434835742702E+03 -0.19081E+01 -0.19044E+01 332 0.848E+00 0.426E+01
DAV: 6 -0.388961681190E+03 0.45874E+02 -0.14867E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385457962731E+03 0.35037E+01 -0.12342E+01 340 0.779E+00 0.104E+01
DAV: 8 -0.384023067184E+03 0.14349E+01 -0.18609E+00 332 0.376E+00 0.415E+00
DAV: 9 -0.383464646528E+03 0.55842E+00 -0.62232E-01 332 0.189E+00 0.932E-01
DAV: 10 -0.383429607579E+03 0.35039E-01 -0.25598E-01 348 0.887E-01 0.106E+00
DAV: 11 -0.383408292576E+03 0.21315E-01 -0.24523E-01 316 0.504E-01 0.751E-01
DAV: 12 -0.383391294332E+03 0.16998E-01 -0.55771E-02 356 0.389E-01 0.565E-01
DAV: 13 -0.383371288626E+03 0.20006E-01 -0.51560E-02 308 0.447E-01 0.320E-01
DAV: 14 -0.383365537600E+03 0.57510E-02 -0.18282E-02 332 0.444E-01 0.205E-01
DAV: 15 -0.383372627008E+03 -0.70894E-02 -0.14470E-02 316 0.360E-01 0.185E-01
DAV: 16 -0.383382708588E+03 -0.10082E-01 -0.65210E-03 308 0.244E-01 0.109E-01
DAV: 17 -0.383395641469E+03 -0.12933E-01 -0.40752E-03 324 0.236E-01 0.717E-02
DAV: 18 -0.383402691279E+03 -0.70498E-02 -0.20905E-03 316 0.135E-01 0.517E-02
DAV: 19 -0.383407888365E+03 -0.51971E-02 -0.30820E-04 324 0.524E-02 0.394E-02
DAV: 20 -0.383415451304E+03 -0.75629E-02 -0.50552E-04 316 0.706E-02 0.285E-02
DAV: 21 -0.383417960482E+03 -0.25092E-02 -0.37298E-04 332 0.575E-02 0.256E-02
DAV: 22 -0.383419254445E+03 -0.12940E-02 -0.13244E-04 388 0.385E-02 0.240E-02
DAV: 23 -0.383419245290E+03 0.91548E-05 -0.22871E-05 300 0.120E-02
1 F= -.38341925E+03 E0= -.38343496E+03 d E =0.471482E-01