iterations/neb0_image07_iter186_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 0.371665167998E+03 0.37167E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.336070787929E+01 -0.36830E+03 -0.35572E+03 869 0.194E+02
DAV: 3 -0.964791899852E+02 -0.99840E+02 -0.99519E+02 680 0.116E+02
DAV: 4 -0.101085708318E+03 -0.46065E+01 -0.45946E+01 696 0.283E+01
DAV: 5 -0.101180056049E+03 -0.94348E-01 -0.94286E-01 728 0.362E+00 0.227E+01
DAV: 6 -0.925747767046E+02 0.86053E+01 -0.30530E+01 736 0.299E+01 0.119E+01
DAV: 7 -0.917189549022E+02 0.85582E+00 -0.17345E+00 712 0.616E+00 0.479E+00
DAV: 8 -0.913479018374E+02 0.37105E+00 -0.52837E-01 728 0.395E+00 0.163E+00
DAV: 9 -0.912665461018E+02 0.81356E-01 -0.13132E-01 728 0.158E+00 0.420E-01
DAV: 10 -0.912581386229E+02 0.84075E-02 -0.41953E-02 741 0.108E+00 0.294E-01
DAV: 11 -0.912624257053E+02 -0.42871E-02 -0.11960E-02 616 0.576E-01 0.141E-01
DAV: 12 -0.912651726680E+02 -0.27470E-02 -0.24294E-03 626 0.255E-01 0.917E-02
DAV: 13 -0.912691632463E+02 -0.39906E-02 -0.16823E-03 639 0.206E-01 0.517E-02
DAV: 14 -0.912717718305E+02 -0.26086E-02 -0.57365E-04 800 0.188E-01 0.374E-02
DAV: 15 -0.912737833016E+02 -0.20115E-02 -0.42117E-04 655 0.104E-01 0.321E-02
DAV: 16 -0.912747206728E+02 -0.93737E-03 -0.12121E-04 733 0.646E-02 0.131E-02
DAV: 17 -0.912755969835E+02 -0.87631E-03 -0.13912E-04 722 0.610E-02 0.150E-02
DAV: 18 -0.912758136647E+02 -0.21668E-03 -0.30867E-05 624 0.409E-02 0.686E-03
DAV: 19 -0.912758735851E+02 -0.59920E-04 -0.17978E-05 528 0.232E-02 0.629E-03
DAV: 20 -0.912759390395E+02 -0.65454E-04 -0.67667E-06 425 0.165E-02 0.277E-03
DAV: 21 -0.912759626677E+02 -0.23628E-04 -0.51992E-06 488 0.129E-02 0.198E-03
DAV: 22 -0.912759733956E+02 -0.10728E-04 -0.11381E-06 418 0.739E-03 0.984E-04
DAV: 23 -0.912759790151E+02 -0.56194E-05 -0.19291E-06 433 0.757E-03
1 F= -.91275979E+02 E0= -.91281340E+02 d E =0.160818E-01