iterations/neb0_image05_iter230_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finishedN E dE d eps ncg rms rms(c) DAV: 1 0.366653464810E+03 0.36665E+03 -0.14290E+04 624 0.799E+02 DAV: 2 0.265605750757E+01 -0.36400E+03 -0.35064E+03 864 0.195E+02 DAV: 3 -0.953275005167E+02 -0.97984E+02 -0.97639E+02 661 0.116E+02 DAV: 4 -0.999177635427E+02 -0.45903E+01 -0.45798E+01 712 0.286E+01 DAV: 5 -0.100011220718E+03 -0.93457E-01 -0.93413E-01 728 0.362E+00 0.221E+01 DAV: 6 -0.915252751725E+02 0.84859E+01 -0.30686E+01 704 0.297E+01 0.116E+01 DAV: 7 -0.907142901010E+02 0.81099E+00 -0.17262E+00 720 0.629E+00 0.482E+00 DAV: 8 -0.903386869062E+02 0.37560E+00 -0.55292E-01 720 0.430E+00 0.165E+00 DAV: 9 -0.902555416442E+02 0.83145E-01 -0.13060E-01 704 0.170E+00 0.430E-01 DAV: 10 -0.902488572041E+02 0.66844E-02 -0.42797E-02 720 0.117E+00 0.314E-01 DAV: 11 -0.902521895917E+02 -0.33324E-02 -0.79719E-03 608 0.633E-01 0.129E-01 DAV: 12 -0.902538522313E+02 -0.16626E-02 -0.56570E-03 632 0.450E-01 0.132E-01 DAV: 13 -0.902554869966E+02 -0.16348E-02 -0.16625E-03 800 0.359E-01 0.874E-02 DAV: 14 -0.902601163572E+02 -0.46294E-02 -0.27651E-03 639 0.471E-01 0.210E-01 DAV: 15 -0.902592712740E+02 0.84508E-03 -0.90717E-04 664 0.193E-01 0.140E-01 DAV: 16 -0.902598747788E+02 -0.60350E-03 -0.57006E-04 818 0.184E-01 0.615E-02 DAV: 17 -0.902614503063E+02 -0.15755E-02 -0.51055E-04 650 0.145E-01 0.492E-02 DAV: 18 -0.902630855685E+02 -0.16353E-02 -0.31934E-04 669 0.899E-02 0.318E-02 DAV: 19 -0.902634637363E+02 -0.37817E-03 -0.10089E-04 768 0.690E-02 0.308E-02 DAV: 20 -0.902637068206E+02 -0.24308E-03 -0.22535E-05 525 0.270E-02 0.217E-02 DAV: 21 -0.902640910823E+02 -0.38426E-03 -0.80031E-05 647 0.534E-02 0.646E-03 DAV: 22 -0.902641505862E+02 -0.59504E-04 -0.18794E-05 576 0.224E-02 0.918E-03 DAV: 23 -0.902641788632E+02 -0.28277E-04 -0.29505E-06 439 0.906E-03 0.676E-03 DAV: 24 -0.902642042574E+02 -0.25394E-04 -0.94121E-06 450 0.222E-02 0.305E-03 DAV: 25 -0.902642059392E+02 -0.16817E-05 -0.36323E-06 544 0.102E-02 1 F= -.90264206E+02 E0= -.90272965E+02 d E =0.262781E-01