./iterations/neb0_image08_iter3_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 0.367475710770E+03 0.36748E+03 -0.14234E+04 624 0.799E+02
DAV: 2 0.312569086302E+01 -0.36435E+03 -0.35179E+03 880 0.194E+02
DAV: 3 -0.950965197481E+02 -0.98222E+02 -0.97842E+02 680 0.115E+02
DAV: 4 -0.995588810407E+02 -0.44624E+01 -0.44485E+01 712 0.279E+01
DAV: 5 -0.996498288948E+02 -0.90948E-01 -0.90906E-01 736 0.356E+00 0.222E+01
DAV: 6 -0.911464214030E+02 0.85034E+01 -0.31285E+01 690 0.307E+01 0.116E+01
DAV: 7 -0.903412897200E+02 0.80513E+00 -0.16125E+00 720 0.648E+00 0.483E+00
DAV: 8 -0.899672437860E+02 0.37405E+00 -0.61437E-01 696 0.428E+00 0.164E+00
DAV: 9 -0.898806720695E+02 0.86572E-01 -0.14218E-01 720 0.181E+00 0.478E-01
DAV: 10 -0.898714584586E+02 0.92136E-02 -0.18045E-02 776 0.692E-01 0.280E-01
DAV: 11 -0.898726711575E+02 -0.12127E-02 -0.13784E-02 608 0.681E-01 0.177E-01
DAV: 12 -0.898753260149E+02 -0.26549E-02 -0.50360E-03 704 0.445E-01 0.107E-01
DAV: 13 -0.898792876032E+02 -0.39616E-02 -0.30776E-03 603 0.288E-01 0.101E-01
DAV: 14 -0.898822487470E+02 -0.29611E-02 -0.11341E-03 644 0.171E-01 0.374E-02
DAV: 15 -0.898852546563E+02 -0.30059E-02 -0.70800E-04 685 0.148E-01 0.394E-02
DAV: 16 -0.898866659305E+02 -0.14113E-02 -0.21584E-04 720 0.860E-02 0.216E-02
DAV: 17 -0.898876549073E+02 -0.98898E-03 -0.19784E-04 716 0.781E-02 0.189E-02
DAV: 18 -0.898879650844E+02 -0.31018E-03 -0.41121E-05 680 0.455E-02 0.135E-02
DAV: 19 -0.898881316241E+02 -0.16654E-03 -0.53446E-05 631 0.434E-02 0.667E-03
DAV: 20 -0.898882053215E+02 -0.73697E-04 -0.94868E-06 461 0.215E-02 0.330E-03
DAV: 21 -0.898882482588E+02 -0.42937E-04 -0.89255E-06 430 0.146E-02 0.255E-03
DAV: 22 -0.898882618766E+02 -0.13618E-04 -0.28874E-06 450 0.846E-03 0.207E-03
DAV: 23 -0.898882660071E+02 -0.41305E-05 -0.19321E-06 436 0.901E-03
1 F= -.89888266E+02 E0= -.89893969E+02 d E =0.171095E-01