./iterations/neb0_image07_iter1_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 0.368100455271E+03 0.36810E+03 -0.14282E+04 632 0.799E+02
DAV: 2 0.574282001710E+01 -0.36236E+03 -0.34985E+03 880 0.193E+02
DAV: 3 -0.922544419014E+02 -0.97997E+02 -0.97456E+02 648 0.115E+02
DAV: 4 -0.968982562581E+02 -0.46438E+01 -0.46288E+01 688 0.291E+01
DAV: 5 -0.969963284588E+02 -0.98072E-01 -0.98032E-01 728 0.376E+00 0.232E+01
DAV: 6 -0.875602178936E+02 0.94361E+01 -0.33474E+01 698 0.318E+01 0.121E+01
DAV: 7 -0.866945987317E+02 0.86562E+00 -0.19245E+00 712 0.747E+00 0.513E+00
DAV: 8 -0.862751020925E+02 0.41950E+00 -0.73837E-01 712 0.492E+00 0.173E+00
DAV: 9 -0.861885734606E+02 0.86529E-01 -0.15553E-01 768 0.208E+00 0.593E-01
DAV: 10 -0.861755120340E+02 0.13061E-01 -0.23473E-02 712 0.908E-01 0.297E-01
DAV: 11 -0.861732325850E+02 0.22794E-02 -0.96118E-03 720 0.598E-01 0.190E-01
DAV: 12 -0.861759985320E+02 -0.27659E-02 -0.61354E-03 680 0.556E-01 0.123E-01
DAV: 13 -0.861799745449E+02 -0.39760E-02 -0.20091E-03 644 0.269E-01 0.920E-02
DAV: 14 -0.861841550462E+02 -0.41805E-02 -0.23303E-03 625 0.257E-01 0.631E-02
DAV: 15 -0.861857391360E+02 -0.15841E-02 -0.36965E-04 688 0.138E-01 0.393E-02
DAV: 16 -0.861874020493E+02 -0.16629E-02 -0.48313E-04 668 0.126E-01 0.278E-02
DAV: 17 -0.861888681124E+02 -0.14661E-02 -0.14947E-04 663 0.684E-02 0.187E-02
DAV: 18 -0.861894769267E+02 -0.60881E-03 -0.84112E-05 730 0.522E-02 0.738E-03
DAV: 19 -0.861897538613E+02 -0.27693E-03 -0.20612E-05 469 0.233E-02 0.612E-03
DAV: 20 -0.861899098188E+02 -0.15596E-03 -0.15293E-05 461 0.161E-02 0.271E-03
DAV: 21 -0.861899713044E+02 -0.61486E-04 -0.83143E-06 455 0.118E-02 0.228E-03
DAV: 22 -0.861899934687E+02 -0.22164E-04 -0.32733E-06 431 0.814E-03 0.997E-04
DAV: 23 -0.861899959627E+02 -0.24940E-05 -0.12164E-06 501 0.522E-03
1 F= -.86189996E+02 E0= -.86193862E+02 d E =0.115969E-01