./iterations/neb0_image03_iter138_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 0.365559360234E+03 0.36556E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.221024071774E+01 -0.36335E+03 -0.35103E+03 853 0.195E+02
DAV: 3 -0.959707670046E+02 -0.98181E+02 -0.97859E+02 688 0.116E+02
DAV: 4 -0.100197787871E+03 -0.42270E+01 -0.42174E+01 704 0.274E+01
DAV: 5 -0.100279744492E+03 -0.81957E-01 -0.81926E-01 736 0.343E+00 0.222E+01
DAV: 6 -0.916998413065E+02 0.85799E+01 -0.30656E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.908524902655E+02 0.84735E+00 -0.18208E+00 712 0.648E+00 0.484E+00
DAV: 8 -0.904478850523E+02 0.40461E+00 -0.58202E-01 704 0.451E+00 0.169E+00
DAV: 9 -0.903530597956E+02 0.94825E-01 -0.12959E-01 704 0.191E+00 0.481E-01
DAV: 10 -0.903434575915E+02 0.96022E-02 -0.40771E-02 720 0.102E+00 0.350E-01
DAV: 11 -0.903452943027E+02 -0.18367E-02 -0.63676E-03 720 0.607E-01 0.158E-01
DAV: 12 -0.903475939504E+02 -0.22996E-02 -0.43345E-03 618 0.361E-01 0.117E-01
DAV: 13 -0.903523440236E+02 -0.47501E-02 -0.30541E-03 645 0.299E-01 0.843E-02
DAV: 14 -0.903573932694E+02 -0.50492E-02 -0.12452E-03 636 0.184E-01 0.559E-02
DAV: 15 -0.903587129474E+02 -0.13197E-02 -0.27430E-04 712 0.934E-02 0.238E-02
DAV: 16 -0.903604742134E+02 -0.17613E-02 -0.16544E-04 655 0.644E-02 0.123E-02
DAV: 17 -0.903614490195E+02 -0.97481E-03 -0.83276E-05 624 0.374E-02 0.916E-03
DAV: 18 -0.903617964879E+02 -0.34747E-03 -0.48472E-05 648 0.338E-02 0.689E-03
DAV: 19 -0.903618604402E+02 -0.63952E-04 -0.69116E-06 536 0.220E-02 0.357E-03
DAV: 20 -0.903619281330E+02 -0.67693E-04 -0.12675E-05 423 0.201E-02 0.436E-03
DAV: 21 -0.903619661443E+02 -0.38011E-04 -0.53182E-06 456 0.130E-02 0.245E-03
DAV: 22 -0.903619750136E+02 -0.88693E-05 -0.41647E-06 504 0.129E-02
1 F= -.90361975E+02 E0= -.90370746E+02 d E =0.263143E-01