iterations/neb0_image05_iter116_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 0.371792953638E+03 0.37179E+03 -0.14295E+04 632 0.799E+02
DAV: 2 0.418003135125E+01 -0.36761E+03 -0.35549E+03 877 0.194E+02
DAV: 3 -0.940734941154E+02 -0.98254E+02 -0.97880E+02 637 0.116E+02
DAV: 4 -0.987829852876E+02 -0.47095E+01 -0.46968E+01 704 0.297E+01
DAV: 5 -0.988841617982E+02 -0.10118E+00 -0.10112E+00 728 0.386E+00 0.218E+01
DAV: 6 -0.905560814277E+02 0.83281E+01 -0.28758E+01 677 0.288E+01 0.112E+01
DAV: 7 -0.896887008900E+02 0.86738E+00 -0.17796E+00 736 0.665E+00 0.469E+00
DAV: 8 -0.892993132266E+02 0.38939E+00 -0.62096E-01 720 0.446E+00 0.156E+00
DAV: 9 -0.892169447007E+02 0.82369E-01 -0.12542E-01 728 0.165E+00 0.445E-01
DAV: 10 -0.892056715180E+02 0.11273E-01 -0.51289E-02 733 0.122E+00 0.343E-01
DAV: 11 -0.892075877044E+02 -0.19162E-02 -0.11778E-02 656 0.621E-01 0.122E-01
DAV: 12 -0.892093574967E+02 -0.17698E-02 -0.33983E-03 671 0.308E-01 0.124E-01
DAV: 13 -0.892149074835E+02 -0.55500E-02 -0.25752E-03 690 0.352E-01 0.696E-02
DAV: 14 -0.892174718622E+02 -0.25644E-02 -0.85257E-04 680 0.142E-01 0.538E-02
DAV: 15 -0.892203647615E+02 -0.28929E-02 -0.80839E-04 658 0.167E-01 0.317E-02
DAV: 16 -0.892215116627E+02 -0.11469E-02 -0.12611E-04 696 0.642E-02 0.235E-02
DAV: 17 -0.892225711034E+02 -0.10594E-02 -0.16694E-04 660 0.642E-02 0.103E-02
DAV: 18 -0.892230311969E+02 -0.46009E-03 -0.53326E-05 690 0.365E-02 0.759E-03
DAV: 19 -0.892231303316E+02 -0.99135E-04 -0.78668E-06 488 0.169E-02 0.421E-03
DAV: 20 -0.892232327028E+02 -0.10237E-03 -0.22986E-05 492 0.253E-02 0.654E-03
DAV: 21 -0.892232614278E+02 -0.28725E-04 -0.45745E-06 480 0.132E-02 0.367E-03
DAV: 22 -0.892232680923E+02 -0.66646E-05 -0.49603E-06 509 0.119E-02
1 F= -.89223268E+02 E0= -.89227268E+02 d E =0.120011E-01