./iterations/neb0_image02_iter61_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 0.368329965506E+03 0.36833E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.467417014506E+01 -0.36366E+03 -0.34888E+03 834 0.195E+02
DAV: 3 -0.956645086509E+02 -0.10034E+03 -0.10000E+03 680 0.117E+02
DAV: 4 -0.100189514346E+03 -0.45250E+01 -0.45147E+01 696 0.283E+01
DAV: 5 -0.100276960867E+03 -0.87447E-01 -0.87403E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916385922775E+02 0.86384E+01 -0.31087E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908179087990E+02 0.82068E+00 -0.18375E+00 704 0.633E+00 0.484E+00
DAV: 8 -0.904303654382E+02 0.38754E+00 -0.55442E-01 696 0.425E+00 0.170E+00
DAV: 9 -0.903387894887E+02 0.91576E-01 -0.14077E-01 712 0.167E+00 0.433E-01
DAV: 10 -0.903321958867E+02 0.65936E-02 -0.46850E-02 701 0.126E+00 0.320E-01
DAV: 11 -0.903359994338E+02 -0.38035E-02 -0.74275E-03 608 0.487E-01 0.143E-01
DAV: 12 -0.903394011649E+02 -0.34017E-02 -0.66865E-03 624 0.451E-01 0.128E-01
DAV: 13 -0.903421039926E+02 -0.27028E-02 -0.13312E-03 920 0.313E-01 0.779E-02
DAV: 14 -0.903452380559E+02 -0.31341E-02 -0.13741E-03 637 0.179E-01 0.553E-02
DAV: 15 -0.903476085998E+02 -0.23705E-02 -0.41331E-04 677 0.118E-01 0.416E-02
DAV: 16 -0.903489680834E+02 -0.13595E-02 -0.61210E-04 656 0.137E-01 0.327E-02
DAV: 17 -0.903498523443E+02 -0.88426E-03 -0.18538E-04 834 0.922E-02 0.174E-02
DAV: 18 -0.903499825471E+02 -0.13020E-03 -0.35668E-05 720 0.330E-02 0.961E-03
DAV: 19 -0.903502126977E+02 -0.23015E-03 -0.35970E-05 561 0.295E-02 0.448E-03
DAV: 20 -0.903502533795E+02 -0.40682E-04 -0.29375E-06 477 0.104E-02 0.417E-03
DAV: 21 -0.903503103803E+02 -0.57001E-04 -0.93461E-06 403 0.178E-02 0.201E-03
DAV: 22 -0.903503208046E+02 -0.10424E-04 -0.35721E-06 477 0.880E-03 0.267E-03
DAV: 23 -0.903503222535E+02 -0.14489E-05 -0.61906E-07 544 0.473E-03
1 F= -.90350322E+02 E0= -.90355835E+02 d E =0.165386E-01