iterations/neb0_image05_iter47_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 0.373289521628E+03 0.37329E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.435315348948E+01 -0.36894E+03 -0.35708E+03 877 0.195E+02
DAV: 3 -0.936760376508E+02 -0.98029E+02 -0.97674E+02 637 0.116E+02
DAV: 4 -0.984071549347E+02 -0.47311E+01 -0.47170E+01 720 0.299E+01
DAV: 5 -0.985077364883E+02 -0.10058E+00 -0.10054E+00 704 0.390E+00 0.220E+01
DAV: 6 -0.902236217695E+02 0.82841E+01 -0.29008E+01 682 0.293E+01 0.113E+01
DAV: 7 -0.893759871012E+02 0.84763E+00 -0.17151E+00 720 0.657E+00 0.466E+00
DAV: 8 -0.889976145025E+02 0.37837E+00 -0.59118E-01 696 0.425E+00 0.161E+00
DAV: 9 -0.889096695131E+02 0.87945E-01 -0.12966E-01 720 0.160E+00 0.441E-01
DAV: 10 -0.888990973362E+02 0.10572E-01 -0.30931E-02 720 0.932E-01 0.296E-01
DAV: 11 -0.889013760872E+02 -0.22788E-02 -0.10172E-02 613 0.632E-01 0.136E-01
DAV: 12 -0.889033605610E+02 -0.19845E-02 -0.22664E-03 696 0.275E-01 0.995E-02
DAV: 13 -0.889085887911E+02 -0.52282E-02 -0.29694E-03 625 0.317E-01 0.905E-02
DAV: 14 -0.889106477495E+02 -0.20590E-02 -0.63409E-04 768 0.181E-01 0.446E-02
DAV: 15 -0.889136428501E+02 -0.29951E-02 -0.12258E-03 631 0.201E-01 0.515E-02
DAV: 16 -0.889148772668E+02 -0.12344E-02 -0.34846E-04 957 0.140E-01 0.207E-02
DAV: 17 -0.889159070184E+02 -0.10298E-02 -0.21983E-04 652 0.836E-02 0.200E-02
DAV: 18 -0.889164920440E+02 -0.58503E-03 -0.87291E-05 666 0.472E-02 0.144E-02
DAV: 19 -0.889166681888E+02 -0.17614E-03 -0.50981E-05 669 0.446E-02 0.627E-03
DAV: 20 -0.889167825559E+02 -0.11437E-03 -0.11716E-05 452 0.211E-02 0.408E-03
DAV: 21 -0.889168372475E+02 -0.54692E-04 -0.83266E-06 455 0.120E-02 0.303E-03
DAV: 22 -0.889168532149E+02 -0.15967E-04 -0.26385E-06 496 0.913E-03 0.109E-03
DAV: 23 -0.889168585591E+02 -0.53442E-05 -0.19505E-06 439 0.768E-03
1 F= -.88916859E+02 E0= -.88920748E+02 d E =0.116692E-01