iterations/neb0_image05_iter169_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 0.370952997648E+03 0.37095E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.422942373521E+01 -0.36672E+03 -0.35275E+03 850 0.195E+02
DAV: 3 -0.952542357766E+02 -0.99484E+02 -0.99153E+02 664 0.116E+02
DAV: 4 -0.999883714642E+02 -0.47341E+01 -0.47227E+01 720 0.289E+01
DAV: 5 -0.100084029208E+03 -0.95658E-01 -0.95604E-01 728 0.365E+00 0.223E+01
DAV: 6 -0.915716045983E+02 0.85124E+01 -0.30032E+01 672 0.296E+01 0.118E+01
DAV: 7 -0.907462562864E+02 0.82535E+00 -0.18435E+00 736 0.645E+00 0.482E+00
DAV: 8 -0.903669355497E+02 0.37932E+00 -0.53931E-01 728 0.425E+00 0.170E+00
DAV: 9 -0.902782994110E+02 0.88636E-01 -0.14412E-01 720 0.172E+00 0.449E-01
DAV: 10 -0.902706672159E+02 0.76322E-02 -0.34478E-02 760 0.123E+00 0.303E-01
DAV: 11 -0.902727010219E+02 -0.20338E-02 -0.66581E-03 640 0.471E-01 0.191E-01
DAV: 12 -0.902751491345E+02 -0.24481E-02 -0.59882E-03 632 0.445E-01 0.105E-01
DAV: 13 -0.902783170934E+02 -0.31680E-02 -0.95391E-04 639 0.192E-01 0.843E-02
DAV: 14 -0.902817512510E+02 -0.34342E-02 -0.14234E-03 664 0.183E-01 0.364E-02
DAV: 15 -0.902848291371E+02 -0.30779E-02 -0.36865E-04 661 0.938E-02 0.313E-02
DAV: 16 -0.902866848619E+02 -0.18557E-02 -0.27573E-04 696 0.858E-02 0.140E-02
DAV: 17 -0.902873926678E+02 -0.70781E-03 -0.58670E-05 602 0.376E-02 0.131E-02
DAV: 18 -0.902877826710E+02 -0.39000E-03 -0.72671E-05 637 0.460E-02 0.707E-03
DAV: 19 -0.902878379261E+02 -0.55255E-04 -0.65801E-06 512 0.162E-02 0.555E-03
DAV: 20 -0.902878843244E+02 -0.46398E-04 -0.79552E-06 423 0.184E-02 0.213E-03
DAV: 21 -0.902879113587E+02 -0.27034E-04 -0.50861E-06 480 0.127E-02 0.261E-03
DAV: 22 -0.902879200941E+02 -0.87354E-05 -0.14464E-06 442 0.612E-03
1 F= -.90287920E+02 E0= -.90296280E+02 d E =0.250788E-01