./iterations/neb0_image07_iter21_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 0.367133051611E+03 0.36713E+03 -0.14272E+04 632 0.799E+02
DAV: 2 0.219159024003E+01 -0.36494E+03 -0.35313E+03 869 0.194E+02
DAV: 3 -0.957736307976E+02 -0.97965E+02 -0.97620E+02 677 0.115E+02
DAV: 4 -0.999674185741E+02 -0.41938E+01 -0.41806E+01 728 0.274E+01
DAV: 5 -0.100049867607E+03 -0.82449E-01 -0.82416E-01 728 0.346E+00 0.220E+01
DAV: 6 -0.915225380703E+02 0.85273E+01 -0.30899E+01 704 0.303E+01 0.114E+01
DAV: 7 -0.907285275398E+02 0.79401E+00 -0.16681E+00 720 0.639E+00 0.475E+00
DAV: 8 -0.903645984116E+02 0.36393E+00 -0.58242E-01 704 0.416E+00 0.167E+00
DAV: 9 -0.902800441693E+02 0.84554E-01 -0.12826E-01 717 0.161E+00 0.449E-01
DAV: 10 -0.902703156462E+02 0.97285E-02 -0.30944E-02 741 0.830E-01 0.278E-01
DAV: 11 -0.902751288322E+02 -0.48132E-02 -0.13511E-02 605 0.709E-01 0.202E-01
DAV: 12 -0.902757624157E+02 -0.63358E-03 -0.30741E-03 704 0.353E-01 0.111E-01
DAV: 13 -0.902806527536E+02 -0.48903E-02 -0.50316E-03 638 0.451E-01 0.105E-01
DAV: 14 -0.902818658149E+02 -0.12131E-02 -0.74255E-04 824 0.224E-01 0.644E-02
DAV: 15 -0.902843618758E+02 -0.24961E-02 -0.11954E-03 663 0.210E-01 0.340E-02
DAV: 16 -0.902862221191E+02 -0.18602E-02 -0.19142E-04 677 0.825E-02 0.277E-02
DAV: 17 -0.902873215783E+02 -0.10995E-02 -0.17292E-04 682 0.686E-02 0.830E-03
DAV: 18 -0.902878514121E+02 -0.52983E-03 -0.61530E-05 666 0.354E-02 0.107E-02
DAV: 19 -0.902879519682E+02 -0.10056E-03 -0.57683E-06 504 0.159E-02 0.721E-03
DAV: 20 -0.902880256714E+02 -0.73703E-04 -0.17467E-05 459 0.227E-02 0.271E-03
DAV: 21 -0.902880390391E+02 -0.13368E-04 -0.18174E-06 512 0.842E-03 0.199E-03
DAV: 22 -0.902880580475E+02 -0.19008E-04 -0.33134E-06 386 0.948E-03 0.121E-03
DAV: 23 -0.902880603822E+02 -0.23347E-05 -0.59671E-07 493 0.372E-03
1 F= -.90288060E+02 E0= -.90293200E+02 d E =0.154177E-01