./iterations/neb0_image06_iter108_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 0.376194377844E+03 0.37619E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.392039267239E+01 -0.37227E+03 -0.36027E+03 877 0.195E+02
DAV: 3 -0.955556001290E+02 -0.99476E+02 -0.99145E+02 645 0.117E+02
DAV: 4 -0.100281722231E+03 -0.47261E+01 -0.47151E+01 704 0.295E+01
DAV: 5 -0.100378684846E+03 -0.96963E-01 -0.96913E-01 728 0.376E+00 0.227E+01
DAV: 6 -0.917782773078E+02 0.86004E+01 -0.30745E+01 695 0.304E+01 0.118E+01
DAV: 7 -0.909418812218E+02 0.83640E+00 -0.17016E+00 728 0.625E+00 0.480E+00
DAV: 8 -0.905633551706E+02 0.37853E+00 -0.51742E-01 720 0.401E+00 0.164E+00
DAV: 9 -0.904746912439E+02 0.88664E-01 -0.13012E-01 720 0.165E+00 0.420E-01
DAV: 10 -0.904655099611E+02 0.91813E-02 -0.42684E-02 728 0.109E+00 0.302E-01
DAV: 11 -0.904697609197E+02 -0.42510E-02 -0.12847E-02 610 0.634E-01 0.163E-01
DAV: 12 -0.904712504656E+02 -0.14895E-02 -0.21394E-03 690 0.290E-01 0.114E-01
DAV: 13 -0.904758174954E+02 -0.45670E-02 -0.42681E-03 686 0.503E-01 0.741E-02
DAV: 14 -0.904775156648E+02 -0.16982E-02 -0.10574E-03 704 0.186E-01 0.619E-02
DAV: 15 -0.904796130411E+02 -0.20974E-02 -0.66427E-04 637 0.146E-01 0.287E-02
DAV: 16 -0.904817715452E+02 -0.21585E-02 -0.24381E-04 661 0.814E-02 0.322E-02
DAV: 17 -0.904824996135E+02 -0.72807E-03 -0.91230E-05 717 0.791E-02 0.171E-02
DAV: 18 -0.904832559505E+02 -0.75634E-03 -0.22287E-04 732 0.904E-02 0.173E-02
DAV: 19 -0.904833305989E+02 -0.74648E-04 -0.17088E-05 584 0.318E-02 0.146E-02
DAV: 20 -0.904834121070E+02 -0.81508E-04 -0.30689E-05 551 0.316E-02 0.686E-03
DAV: 21 -0.904835045217E+02 -0.92415E-04 -0.10578E-05 415 0.153E-02 0.426E-03
DAV: 22 -0.904835306642E+02 -0.26143E-04 -0.91905E-06 474 0.152E-02 0.459E-03
DAV: 23 -0.904835402469E+02 -0.95827E-05 -0.36094E-06 442 0.133E-02
1 F= -.90483540E+02 E0= -.90488291E+02 d E =0.142524E-01