./iterations/neb0_image06_iter258_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 0.374239729328E+03 0.37424E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.520137029297E+01 -0.36904E+03 -0.35652E+03 858 0.194E+02
DAV: 3 -0.950665357432E+02 -0.10027E+03 -0.99885E+02 664 0.117E+02
DAV: 4 -0.998865466064E+02 -0.48200E+01 -0.48053E+01 736 0.290E+01
DAV: 5 -0.999873379441E+02 -0.10079E+00 -0.10074E+00 720 0.369E+00 0.225E+01
DAV: 6 -0.914176756664E+02 0.85697E+01 -0.30105E+01 696 0.304E+01 0.118E+01
DAV: 7 -0.905949909566E+02 0.82268E+00 -0.17627E+00 720 0.637E+00 0.481E+00
DAV: 8 -0.902205933024E+02 0.37440E+00 -0.54613E-01 696 0.413E+00 0.170E+00
DAV: 9 -0.901285004655E+02 0.92093E-01 -0.13199E-01 720 0.164E+00 0.433E-01
DAV: 10 -0.901186846891E+02 0.98158E-02 -0.33652E-02 768 0.914E-01 0.285E-01
DAV: 11 -0.901227663204E+02 -0.40816E-02 -0.11609E-02 605 0.601E-01 0.177E-01
DAV: 12 -0.901241964780E+02 -0.14302E-02 -0.37974E-03 656 0.388E-01 0.921E-02
DAV: 13 -0.901286663467E+02 -0.44699E-02 -0.30567E-03 614 0.292E-01 0.892E-02
DAV: 14 -0.901306179036E+02 -0.19516E-02 -0.54098E-04 896 0.188E-01 0.383E-02
DAV: 15 -0.901337607038E+02 -0.31428E-02 -0.72836E-04 619 0.143E-01 0.378E-02
DAV: 16 -0.901355133587E+02 -0.17527E-02 -0.21532E-04 858 0.989E-02 0.201E-02
DAV: 17 -0.901364722115E+02 -0.95885E-03 -0.20737E-04 677 0.694E-02 0.173E-02
DAV: 18 -0.901367433096E+02 -0.27110E-03 -0.23663E-05 541 0.295E-02 0.102E-02
DAV: 19 -0.901368608345E+02 -0.11752E-03 -0.43007E-05 642 0.377E-02 0.604E-03
DAV: 20 -0.901369042141E+02 -0.43380E-04 -0.71221E-06 463 0.229E-02 0.188E-03
DAV: 21 -0.901369158872E+02 -0.11673E-04 -0.29327E-06 472 0.886E-03 0.133E-03
DAV: 22 -0.901369229328E+02 -0.70455E-05 -0.12073E-06 415 0.628E-03
1 F= -.90136923E+02 E0= -.90141529E+02 d E =0.138181E-01