./iterations/neb0_image07_iter294_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 0.373196214985E+03 0.37320E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.425459128144E+01 -0.36894E+03 -0.35804E+03 858 0.194E+02
DAV: 3 -0.964672401078E+02 -0.10072E+03 -0.10039E+03 656 0.117E+02
DAV: 4 -0.101264099458E+03 -0.47969E+01 -0.47843E+01 720 0.294E+01
DAV: 5 -0.101358188751E+03 -0.94089E-01 -0.94049E-01 728 0.372E+00 0.229E+01
DAV: 6 -0.926275929176E+02 0.87306E+01 -0.31045E+01 714 0.301E+01 0.120E+01
DAV: 7 -0.917445766326E+02 0.88302E+00 -0.17297E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.913645336153E+02 0.38004E+00 -0.52784E-01 736 0.389E+00 0.164E+00
DAV: 9 -0.912784829459E+02 0.86051E-01 -0.13107E-01 736 0.153E+00 0.424E-01
DAV: 10 -0.912689224911E+02 0.95605E-02 -0.46491E-02 768 0.111E+00 0.303E-01
DAV: 11 -0.912739840601E+02 -0.50616E-02 -0.14736E-02 618 0.639E-01 0.161E-01
DAV: 12 -0.912766306330E+02 -0.26466E-02 -0.28201E-03 623 0.235E-01 0.115E-01
DAV: 13 -0.912808613938E+02 -0.42308E-02 -0.34404E-03 638 0.300E-01 0.657E-02
DAV: 14 -0.912837469851E+02 -0.28856E-02 -0.10087E-03 688 0.190E-01 0.290E-02
DAV: 15 -0.912859193480E+02 -0.21724E-02 -0.29317E-04 650 0.775E-02 0.229E-02
DAV: 16 -0.912868814072E+02 -0.96206E-03 -0.11506E-04 664 0.655E-02 0.158E-02
DAV: 17 -0.912873874414E+02 -0.50603E-03 -0.12920E-04 637 0.545E-02 0.152E-02
DAV: 18 -0.912874845942E+02 -0.97153E-04 -0.18799E-05 656 0.326E-02 0.499E-03
DAV: 19 -0.912875875373E+02 -0.10294E-03 -0.25530E-05 516 0.255E-02 0.500E-03
DAV: 20 -0.912876095766E+02 -0.22039E-04 -0.28123E-06 488 0.955E-03 0.411E-03
DAV: 21 -0.912876189548E+02 -0.93782E-05 -0.30072E-06 439 0.111E-02
1 F= -.91287619E+02 E0= -.91292398E+02 d E =0.143368E-01