iterations/neb0_image04_iter37_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 0.372440875318E+03 0.37244E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.477263351767E+01 -0.36767E+03 -0.35576E+03 869 0.195E+02
DAV: 3 -0.949490437686E+02 -0.99722E+02 -0.99373E+02 661 0.116E+02
DAV: 4 -0.995200769661E+02 -0.45710E+01 -0.45538E+01 720 0.290E+01
DAV: 5 -0.996075797792E+02 -0.87503E-01 -0.87467E-01 728 0.364E+00 0.224E+01
DAV: 6 -0.909869666071E+02 0.86206E+01 -0.30197E+01 690 0.297E+01 0.117E+01
DAV: 7 -0.901192563525E+02 0.86771E+00 -0.17755E+00 720 0.631E+00 0.482E+00
DAV: 8 -0.897148564658E+02 0.40440E+00 -0.57449E-01 696 0.434E+00 0.168E+00
DAV: 9 -0.896209060067E+02 0.93950E-01 -0.14448E-01 720 0.171E+00 0.452E-01
DAV: 10 -0.896120627033E+02 0.88433E-02 -0.30458E-02 717 0.979E-01 0.321E-01
DAV: 11 -0.896136889985E+02 -0.16263E-02 -0.63756E-03 632 0.402E-01 0.147E-01
DAV: 12 -0.896165216244E+02 -0.28326E-02 -0.27249E-03 631 0.272E-01 0.104E-01
DAV: 13 -0.896210611054E+02 -0.45395E-02 -0.10743E-03 631 0.208E-01 0.604E-02
DAV: 14 -0.896247902424E+02 -0.37291E-02 -0.11507E-03 647 0.181E-01 0.372E-02
DAV: 15 -0.896273848091E+02 -0.25946E-02 -0.35518E-04 682 0.118E-01 0.213E-02
DAV: 16 -0.896289902517E+02 -0.16054E-02 -0.23224E-04 669 0.648E-02 0.218E-02
DAV: 17 -0.896294397932E+02 -0.44954E-03 -0.10814E-04 776 0.785E-02 0.127E-02
DAV: 18 -0.896298789598E+02 -0.43917E-03 -0.56869E-05 647 0.391E-02 0.819E-03
DAV: 19 -0.896299680083E+02 -0.89049E-04 -0.10069E-05 493 0.188E-02 0.392E-03
DAV: 20 -0.896300857777E+02 -0.11777E-03 -0.21120E-05 489 0.240E-02 0.478E-03
DAV: 21 -0.896301037240E+02 -0.17946E-04 -0.22010E-06 501 0.111E-02 0.299E-03
DAV: 22 -0.896301172180E+02 -0.13494E-04 -0.55624E-06 420 0.150E-02 0.242E-03
DAV: 23 -0.896301261812E+02 -0.89631E-05 -0.14169E-06 452 0.770E-03
1 F= -.89630126E+02 E0= -.89638985E+02 d E =0.265764E-01