./iterations/neb0_image08_iter110_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 0.376258626631E+03 0.37626E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.349362388573E+01 -0.37277E+03 -0.35976E+03 869 0.196E+02
DAV: 3 -0.968443657987E+02 -0.10034E+03 -0.10000E+03 688 0.117E+02
DAV: 4 -0.101208101365E+03 -0.43637E+01 -0.43535E+01 696 0.275E+01
DAV: 5 -0.101294256707E+03 -0.86155E-01 -0.86120E-01 736 0.346E+00 0.228E+01
DAV: 6 -0.926223699242E+02 0.86719E+01 -0.30807E+01 714 0.302E+01 0.119E+01
DAV: 7 -0.917445883764E+02 0.87778E+00 -0.17173E+00 720 0.616E+00 0.481E+00
DAV: 8 -0.913650328180E+02 0.37956E+00 -0.55345E-01 712 0.401E+00 0.163E+00
DAV: 9 -0.912820293572E+02 0.83003E-01 -0.13178E-01 712 0.156E+00 0.425E-01
DAV: 10 -0.912730413261E+02 0.89880E-02 -0.47072E-02 744 0.114E+00 0.307E-01
DAV: 11 -0.912777213925E+02 -0.46801E-02 -0.14115E-02 624 0.618E-01 0.154E-01
DAV: 12 -0.912805761663E+02 -0.28548E-02 -0.30268E-03 609 0.249E-01 0.119E-01
DAV: 13 -0.912842440273E+02 -0.36679E-02 -0.16776E-03 725 0.226E-01 0.453E-02
DAV: 14 -0.912875406724E+02 -0.32966E-02 -0.59560E-04 656 0.139E-01 0.349E-02
DAV: 15 -0.912892047680E+02 -0.16641E-02 -0.19441E-04 656 0.817E-02 0.394E-02
DAV: 16 -0.912904781295E+02 -0.12734E-02 -0.36477E-04 642 0.992E-02 0.194E-02
DAV: 17 -0.912907983884E+02 -0.32026E-03 -0.59740E-05 688 0.563E-02 0.142E-02
DAV: 18 -0.912910474284E+02 -0.24904E-03 -0.46745E-05 626 0.330E-02 0.129E-02
DAV: 19 -0.912911499428E+02 -0.10251E-03 -0.11773E-05 472 0.197E-02 0.597E-03
DAV: 20 -0.912911860785E+02 -0.36136E-04 -0.13221E-05 448 0.223E-02 0.238E-03
DAV: 21 -0.912912074214E+02 -0.21343E-04 -0.39391E-06 436 0.944E-03 0.281E-03
DAV: 22 -0.912912125704E+02 -0.51491E-05 -0.82259E-07 464 0.472E-03
1 F= -.91291213E+02 E0= -.91296284E+02 d E =0.152148E-01