iterations/neb0_image09_iter253_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.374206179728E+03 0.37421E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.330739075439E+01 -0.37090E+03 -0.35826E+03 869 0.196E+02
DAV: 3 -0.967684906945E+02 -0.10008E+03 -0.99748E+02 661 0.117E+02
DAV: 4 -0.101287782012E+03 -0.45193E+01 -0.45088E+01 720 0.287E+01
DAV: 5 -0.101376238282E+03 -0.88456E-01 -0.88419E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926834985008E+02 0.86927E+01 -0.31012E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918119851686E+02 0.87151E+00 -0.17232E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914360325028E+02 0.37595E+00 -0.54236E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913550219209E+02 0.81011E-01 -0.13263E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913469579578E+02 0.80640E-02 -0.44400E-02 768 0.109E+00 0.301E-01
DAV: 11 -0.913513956968E+02 -0.44377E-02 -0.12315E-02 608 0.580E-01 0.135E-01
DAV: 12 -0.913545383788E+02 -0.31427E-02 -0.27848E-03 623 0.239E-01 0.107E-01
DAV: 13 -0.913580884062E+02 -0.35500E-02 -0.14957E-03 677 0.205E-01 0.429E-02
DAV: 14 -0.913616386002E+02 -0.35502E-02 -0.71789E-04 656 0.156E-01 0.334E-02
DAV: 15 -0.913626467588E+02 -0.10082E-02 -0.11672E-04 720 0.745E-02 0.315E-02
DAV: 16 -0.913641117763E+02 -0.14650E-02 -0.39761E-04 642 0.109E-01 0.222E-02
DAV: 17 -0.913644055418E+02 -0.29377E-03 -0.66131E-05 752 0.621E-02 0.118E-02
DAV: 18 -0.913646323582E+02 -0.22682E-03 -0.39524E-05 573 0.302E-02 0.947E-03
DAV: 19 -0.913647626372E+02 -0.13028E-03 -0.13864E-05 448 0.184E-02 0.465E-03
DAV: 20 -0.913647980130E+02 -0.35376E-04 -0.80364E-06 480 0.166E-02 0.225E-03
DAV: 21 -0.913648163202E+02 -0.18307E-04 -0.51719E-06 437 0.124E-02 0.288E-03
DAV: 22 -0.913648209897E+02 -0.46695E-05 -0.10911E-06 496 0.548E-03
1 F= -.91364821E+02 E0= -.91369651E+02 d E =0.144890E-01