./iterations/neb0_image05_iter276_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 0.368646612219E+03 0.36865E+03 -0.14318E+04 624 0.799E+02
DAV: 2 0.423624459765E+01 -0.36441E+03 -0.35133E+03 842 0.196E+02
DAV: 3 -0.952826482158E+02 -0.99519E+02 -0.99172E+02 640 0.117E+02
DAV: 4 -0.100191062707E+03 -0.49084E+01 -0.48961E+01 704 0.302E+01
DAV: 5 -0.100289306264E+03 -0.98244E-01 -0.98198E-01 736 0.383E+00 0.223E+01
DAV: 6 -0.915855647103E+02 0.87037E+01 -0.31059E+01 680 0.300E+01 0.118E+01
DAV: 7 -0.907461241011E+02 0.83944E+00 -0.17487E+00 712 0.627E+00 0.484E+00
DAV: 8 -0.903653859318E+02 0.38074E+00 -0.55312E-01 720 0.431E+00 0.168E+00
DAV: 9 -0.902803163669E+02 0.85070E-01 -0.12645E-01 728 0.174E+00 0.450E-01
DAV: 10 -0.902727805355E+02 0.75358E-02 -0.27174E-02 720 0.939E-01 0.311E-01
DAV: 11 -0.902741179870E+02 -0.13375E-02 -0.66452E-03 688 0.436E-01 0.200E-01
DAV: 12 -0.902774036217E+02 -0.32856E-02 -0.56742E-03 610 0.469E-01 0.112E-01
DAV: 13 -0.902800287557E+02 -0.26251E-02 -0.13484E-03 648 0.210E-01 0.931E-02
DAV: 14 -0.902843292396E+02 -0.43005E-02 -0.21308E-03 630 0.245E-01 0.497E-02
DAV: 15 -0.902875128350E+02 -0.31836E-02 -0.45399E-04 709 0.127E-01 0.325E-02
DAV: 16 -0.902898460788E+02 -0.23332E-02 -0.58935E-04 658 0.121E-01 0.279E-02
DAV: 17 -0.902905554329E+02 -0.70935E-03 -0.91622E-05 752 0.757E-02 0.127E-02
DAV: 18 -0.902909884916E+02 -0.43306E-03 -0.10813E-04 658 0.521E-02 0.101E-02
DAV: 19 -0.902911464567E+02 -0.15797E-03 -0.11623E-05 472 0.198E-02 0.693E-03
DAV: 20 -0.902912227932E+02 -0.76337E-04 -0.26207E-05 521 0.306E-02 0.377E-03
DAV: 21 -0.902912411054E+02 -0.18312E-04 -0.39252E-06 488 0.110E-02 0.423E-03
DAV: 22 -0.902912513333E+02 -0.10228E-04 -0.22795E-06 423 0.915E-03 0.221E-03
DAV: 23 -0.902912556407E+02 -0.43074E-05 -0.30135E-06 449 0.114E-02
1 F= -.90291256E+02 E0= -.90299231E+02 d E =0.239263E-01