./iterations/neb0_image06_iter73_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 0.376245009789E+03 0.37625E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.421792232237E+01 -0.37203E+03 -0.35974E+03 866 0.195E+02
DAV: 3 -0.955733217074E+02 -0.99791E+02 -0.99470E+02 656 0.117E+02
DAV: 4 -0.100142801865E+03 -0.45695E+01 -0.45584E+01 704 0.291E+01
DAV: 5 -0.100236772917E+03 -0.93971E-01 -0.93931E-01 720 0.371E+00 0.227E+01
DAV: 6 -0.915982577159E+02 0.86385E+01 -0.30802E+01 685 0.306E+01 0.118E+01
DAV: 7 -0.907499561042E+02 0.84830E+00 -0.16957E+00 720 0.623E+00 0.481E+00
DAV: 8 -0.903660739852E+02 0.38388E+00 -0.52875E-01 704 0.403E+00 0.165E+00
DAV: 9 -0.902757278260E+02 0.90346E-01 -0.13055E-01 720 0.159E+00 0.424E-01
DAV: 10 -0.902659907828E+02 0.97370E-02 -0.43095E-02 720 0.107E+00 0.306E-01
DAV: 11 -0.902704834943E+02 -0.44927E-02 -0.11655E-02 621 0.675E-01 0.154E-01
DAV: 12 -0.902722502077E+02 -0.17667E-02 -0.27963E-03 639 0.278E-01 0.121E-01
DAV: 13 -0.902766636016E+02 -0.44134E-02 -0.26264E-03 633 0.331E-01 0.785E-02
DAV: 14 -0.902785270447E+02 -0.18634E-02 -0.42843E-04 712 0.139E-01 0.542E-02
DAV: 15 -0.902818211907E+02 -0.32941E-02 -0.10298E-03 629 0.191E-01 0.398E-02
DAV: 16 -0.902832808437E+02 -0.14597E-02 -0.25687E-04 680 0.100E-01 0.219E-02
DAV: 17 -0.902838515614E+02 -0.57072E-03 -0.11532E-04 768 0.620E-02 0.134E-02
DAV: 18 -0.902845646396E+02 -0.71308E-03 -0.13057E-04 668 0.700E-02 0.128E-02
DAV: 19 -0.902846191927E+02 -0.54553E-04 -0.14369E-05 520 0.281E-02 0.103E-02
DAV: 20 -0.902846878443E+02 -0.68652E-04 -0.28027E-05 492 0.336E-02 0.367E-03
DAV: 21 -0.902847394450E+02 -0.51601E-04 -0.78756E-06 458 0.161E-02 0.518E-03
DAV: 22 -0.902847662862E+02 -0.26841E-04 -0.30822E-06 436 0.821E-03 0.518E-03
DAV: 23 -0.902847757526E+02 -0.94665E-05 -0.40920E-06 444 0.175E-02
1 F= -.90284776E+02 E0= -.90292708E+02 d E =0.237964E-01