./iterations/neb0_image09_iter249_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 0.374233088192E+03 0.37423E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.331760672147E+01 -0.37092E+03 -0.35828E+03 869 0.196E+02
DAV: 3 -0.967606661998E+02 -0.10008E+03 -0.99750E+02 661 0.117E+02
DAV: 4 -0.101283435424E+03 -0.45228E+01 -0.45123E+01 720 0.287E+01
DAV: 5 -0.101372022793E+03 -0.88587E-01 -0.88550E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926826658269E+02 0.86894E+01 -0.30999E+01 720 0.300E+01 0.119E+01
DAV: 7 -0.918116105402E+02 0.87106E+00 -0.17201E+00 720 0.612E+00 0.480E+00
DAV: 8 -0.914355841868E+02 0.37603E+00 -0.54218E-01 712 0.394E+00 0.162E+00
DAV: 9 -0.913548590028E+02 0.80725E-01 -0.13260E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913468206719E+02 0.80383E-02 -0.44220E-02 760 0.109E+00 0.301E-01
DAV: 11 -0.913511797929E+02 -0.43591E-02 -0.12033E-02 608 0.572E-01 0.132E-01
DAV: 12 -0.913544150226E+02 -0.32352E-02 -0.28399E-03 623 0.242E-01 0.108E-01
DAV: 13 -0.913578812706E+02 -0.34662E-02 -0.12917E-03 677 0.194E-01 0.423E-02
DAV: 14 -0.913612264317E+02 -0.33452E-02 -0.69763E-04 656 0.146E-01 0.361E-02
DAV: 15 -0.913624399391E+02 -0.12135E-02 -0.12811E-04 768 0.803E-02 0.328E-02
DAV: 16 -0.913638930598E+02 -0.14531E-02 -0.31938E-04 642 0.878E-02 0.167E-02
DAV: 17 -0.913642981759E+02 -0.40512E-03 -0.51771E-05 680 0.478E-02 0.126E-02
DAV: 18 -0.913645650145E+02 -0.26684E-03 -0.45993E-05 565 0.302E-02 0.869E-03
DAV: 19 -0.913646180831E+02 -0.53069E-04 -0.66893E-06 504 0.146E-02 0.455E-03
DAV: 20 -0.913646487435E+02 -0.30660E-04 -0.68135E-06 432 0.168E-02 0.179E-03
DAV: 21 -0.913646646733E+02 -0.15930E-04 -0.31463E-06 445 0.843E-03 0.266E-03
DAV: 22 -0.913646680175E+02 -0.33442E-05 -0.61607E-07 488 0.451E-03
1 F= -.91364668E+02 E0= -.91369493E+02 d E =0.144742E-01