./iterations/neb0_image06_iter45_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 0.376984580015E+03 0.37698E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.486961332385E+01 -0.37211E+03 -0.35888E+03 861 0.196E+02
DAV: 3 -0.956958831436E+02 -0.10057E+03 -0.10024E+03 664 0.117E+02
DAV: 4 -0.100111967996E+03 -0.44161E+01 -0.44053E+01 712 0.287E+01
DAV: 5 -0.100198858266E+03 -0.86890E-01 -0.86861E-01 728 0.361E+00 0.228E+01
DAV: 6 -0.914721258655E+02 0.87267E+01 -0.30631E+01 674 0.306E+01 0.119E+01
DAV: 7 -0.905945963822E+02 0.87753E+00 -0.17310E+00 728 0.638E+00 0.481E+00
DAV: 8 -0.902085587859E+02 0.38604E+00 -0.50581E-01 696 0.398E+00 0.170E+00
DAV: 9 -0.901183565114E+02 0.90202E-01 -0.14754E-01 720 0.178E+00 0.473E-01
DAV: 10 -0.901086131187E+02 0.97434E-02 -0.26525E-02 784 0.108E+00 0.303E-01
DAV: 11 -0.901096792416E+02 -0.10661E-02 -0.81733E-03 648 0.481E-01 0.163E-01
DAV: 12 -0.901122370749E+02 -0.25578E-02 -0.37214E-03 599 0.304E-01 0.107E-01
DAV: 13 -0.901167381435E+02 -0.45011E-02 -0.15175E-03 624 0.212E-01 0.878E-02
DAV: 14 -0.901202879110E+02 -0.35498E-02 -0.10417E-03 680 0.158E-01 0.357E-02
DAV: 15 -0.901232100785E+02 -0.29222E-02 -0.39210E-04 685 0.103E-01 0.326E-02
DAV: 16 -0.901244193302E+02 -0.12093E-02 -0.66251E-05 640 0.535E-02 0.219E-02
DAV: 17 -0.901255877918E+02 -0.11685E-02 -0.23548E-04 655 0.776E-02 0.173E-02
DAV: 18 -0.901258750299E+02 -0.28724E-03 -0.23340E-05 576 0.391E-02 0.105E-02
DAV: 19 -0.901261100406E+02 -0.23501E-03 -0.55165E-05 625 0.364E-02 0.809E-03
DAV: 20 -0.901261504794E+02 -0.40439E-04 -0.48653E-06 512 0.192E-02 0.340E-03
DAV: 21 -0.901261851839E+02 -0.34704E-04 -0.89232E-06 403 0.160E-02 0.308E-03
DAV: 22 -0.901261968682E+02 -0.11684E-04 -0.19986E-06 480 0.769E-03 0.221E-03
DAV: 23 -0.901262006926E+02 -0.38244E-05 -0.10103E-06 458 0.638E-03
1 F= -.90126201E+02 E0= -.90136581E+02 d E =0.311422E-01