./iterations/neb0_image04_iter231_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 0.367533456013E+03 0.36753E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.150147525329E+01 -0.36603E+03 -0.35458E+03 869 0.195E+02
DAV: 3 -0.959939118353E+02 -0.97495E+02 -0.97205E+02 664 0.116E+02
DAV: 4 -0.100281394342E+03 -0.42875E+01 -0.42782E+01 704 0.279E+01
DAV: 5 -0.100365551069E+03 -0.84157E-01 -0.84126E-01 736 0.350E+00 0.223E+01
DAV: 6 -0.916716216175E+02 0.86939E+01 -0.31197E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908130229628E+02 0.85860E+00 -0.17940E+00 712 0.658E+00 0.485E+00
DAV: 8 -0.903984637407E+02 0.41456E+00 -0.55386E-01 704 0.451E+00 0.176E+00
DAV: 9 -0.903059315631E+02 0.92532E-01 -0.16747E-01 720 0.196E+00 0.531E-01
DAV: 10 -0.902942485160E+02 0.11683E-01 -0.36593E-02 712 0.104E+00 0.341E-01
DAV: 11 -0.902959470241E+02 -0.16985E-02 -0.82496E-03 712 0.482E-01 0.181E-01
DAV: 12 -0.902994874319E+02 -0.35404E-02 -0.38693E-03 612 0.332E-01 0.110E-01
DAV: 13 -0.903034132135E+02 -0.39258E-02 -0.11733E-03 631 0.227E-01 0.922E-02
DAV: 14 -0.903062917976E+02 -0.28786E-02 -0.11790E-03 711 0.237E-01 0.554E-02
DAV: 15 -0.903080225138E+02 -0.17307E-02 -0.22746E-04 680 0.121E-01 0.321E-02
DAV: 16 -0.903107652094E+02 -0.27427E-02 -0.70267E-04 694 0.146E-01 0.337E-02
DAV: 17 -0.903113389988E+02 -0.57379E-03 -0.20737E-04 944 0.112E-01 0.186E-02
DAV: 18 -0.903120144099E+02 -0.67541E-03 -0.15869E-04 655 0.655E-02 0.175E-02
DAV: 19 -0.903123335546E+02 -0.31914E-03 -0.46424E-05 596 0.443E-02 0.686E-03
DAV: 20 -0.903124638920E+02 -0.13034E-03 -0.39330E-05 656 0.325E-02 0.756E-03
DAV: 21 -0.903125188497E+02 -0.54958E-04 -0.67587E-06 444 0.218E-02 0.202E-03
DAV: 22 -0.903125508501E+02 -0.32000E-04 -0.10072E-05 428 0.153E-02 0.337E-03
DAV: 23 -0.903125537782E+02 -0.29280E-05 -0.12081E-06 528 0.619E-03
1 F= -.90312554E+02 E0= -.90320784E+02 d E =0.246918E-01