iterations/neb0_image06_iter1_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 0.368484084264E+03 0.36848E+03 -0.14285E+04 632 0.799E+02
DAV: 2 0.946826677832E+01 -0.35902E+03 -0.34603E+03 848 0.193E+02
DAV: 3 -0.909143872973E+02 -0.10038E+03 -0.99679E+02 688 0.116E+02
DAV: 4 -0.955554081304E+02 -0.46410E+01 -0.46271E+01 704 0.285E+01
DAV: 5 -0.956495126423E+02 -0.94105E-01 -0.94072E-01 736 0.361E+00 0.235E+01
DAV: 6 -0.858312934219E+02 0.98182E+01 -0.34531E+01 685 0.329E+01 0.123E+01
DAV: 7 -0.849626491614E+02 0.86864E+00 -0.21854E+00 720 0.815E+00 0.525E+00
DAV: 8 -0.845245219779E+02 0.43813E+00 -0.76570E-01 712 0.505E+00 0.183E+00
DAV: 9 -0.844360537501E+02 0.88468E-01 -0.17224E-01 704 0.223E+00 0.688E-01
DAV: 10 -0.844219899766E+02 0.14064E-01 -0.31893E-02 712 0.115E+00 0.321E-01
DAV: 11 -0.844186889811E+02 0.33010E-02 -0.93806E-03 688 0.610E-01 0.219E-01
DAV: 12 -0.844211785721E+02 -0.24896E-02 -0.78879E-03 645 0.637E-01 0.128E-01
DAV: 13 -0.844244402763E+02 -0.32617E-02 -0.21285E-03 669 0.251E-01 0.108E-01
DAV: 14 -0.844290847885E+02 -0.46445E-02 -0.35110E-03 619 0.361E-01 0.868E-02
DAV: 15 -0.844306192415E+02 -0.15345E-02 -0.47256E-04 781 0.182E-01 0.570E-02
DAV: 16 -0.844323645656E+02 -0.17453E-02 -0.11828E-03 658 0.213E-01 0.390E-02
DAV: 17 -0.844338612378E+02 -0.14967E-02 -0.21372E-04 726 0.108E-01 0.201E-02
DAV: 18 -0.844347947261E+02 -0.93349E-03 -0.16059E-04 669 0.580E-02 0.837E-03
DAV: 19 -0.844351327602E+02 -0.33803E-03 -0.23977E-05 535 0.221E-02 0.478E-03
DAV: 20 -0.844353322007E+02 -0.19944E-03 -0.21321E-05 484 0.167E-02 0.333E-03
DAV: 21 -0.844353819567E+02 -0.49756E-04 -0.45417E-06 485 0.108E-02 0.151E-03
DAV: 22 -0.844354073093E+02 -0.25353E-04 -0.38913E-06 401 0.757E-03 0.152E-03
DAV: 23 -0.844354120597E+02 -0.47504E-05 -0.10947E-06 488 0.469E-03
1 F= -.84435412E+02 E0= -.84439279E+02 d E =0.115996E-01