iterations/neb0_image07_iter39_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 0.375737657767E+03 0.37574E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.392815629958E+01 -0.37181E+03 -0.35871E+03 861 0.195E+02
DAV: 3 -0.961719353656E+02 -0.10010E+03 -0.99763E+02 656 0.117E+02
DAV: 4 -0.100703959374E+03 -0.45320E+01 -0.45203E+01 712 0.290E+01
DAV: 5 -0.100793566242E+03 -0.89607E-01 -0.89577E-01 728 0.365E+00 0.228E+01
DAV: 6 -0.921295942214E+02 0.86640E+01 -0.30494E+01 693 0.304E+01 0.119E+01
DAV: 7 -0.912523863635E+02 0.87721E+00 -0.16926E+00 712 0.618E+00 0.481E+00
DAV: 8 -0.908720210605E+02 0.38037E+00 -0.54671E-01 688 0.406E+00 0.164E+00
DAV: 9 -0.907872581116E+02 0.84763E-01 -0.13312E-01 720 0.162E+00 0.431E-01
DAV: 10 -0.907777998224E+02 0.94583E-02 -0.42263E-02 736 0.107E+00 0.301E-01
DAV: 11 -0.907828143427E+02 -0.50145E-02 -0.14953E-02 607 0.700E-01 0.182E-01
DAV: 12 -0.907840682735E+02 -0.12539E-02 -0.23723E-03 688 0.275E-01 0.118E-01
DAV: 13 -0.907888885728E+02 -0.48203E-02 -0.46748E-03 625 0.413E-01 0.852E-02
DAV: 14 -0.907902311242E+02 -0.13426E-02 -0.75537E-04 704 0.193E-01 0.524E-02
DAV: 15 -0.907933502852E+02 -0.31192E-02 -0.99160E-04 703 0.195E-01 0.349E-02
DAV: 16 -0.907945763790E+02 -0.12261E-02 -0.13707E-04 680 0.714E-02 0.309E-02
DAV: 17 -0.907955555011E+02 -0.97912E-03 -0.16734E-04 698 0.766E-02 0.105E-02
DAV: 18 -0.907961332914E+02 -0.57779E-03 -0.79948E-05 661 0.386E-02 0.124E-02
DAV: 19 -0.907962429109E+02 -0.10962E-03 -0.49420E-06 496 0.128E-02 0.966E-03
DAV: 20 -0.907963248881E+02 -0.81977E-04 -0.24559E-05 464 0.280E-02 0.496E-03
DAV: 21 -0.907963270689E+02 -0.21809E-05 -0.32081E-06 544 0.981E-03
1 F= -.90796327E+02 E0= -.90801544E+02 d E =0.156510E-01