iterations/neb0_image07_iter168_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 0.370997036496E+03 0.37100E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.322400043449E+01 -0.36777E+03 -0.35511E+03 869 0.194E+02
DAV: 3 -0.962443953128E+02 -0.99468E+02 -0.99150E+02 664 0.116E+02
DAV: 4 -0.101006518714E+03 -0.47621E+01 -0.47502E+01 688 0.292E+01
DAV: 5 -0.101106113708E+03 -0.99595E-01 -0.99522E-01 736 0.376E+00 0.226E+01
DAV: 6 -0.925432671558E+02 0.85628E+01 -0.30468E+01 736 0.299E+01 0.118E+01
DAV: 7 -0.916982392972E+02 0.84503E+00 -0.17252E+00 720 0.615E+00 0.478E+00
DAV: 8 -0.913293930699E+02 0.36885E+00 -0.52199E-01 728 0.393E+00 0.164E+00
DAV: 9 -0.912480487597E+02 0.81344E-01 -0.13212E-01 728 0.159E+00 0.421E-01
DAV: 10 -0.912397345068E+02 0.83143E-02 -0.41186E-02 773 0.108E+00 0.293E-01
DAV: 11 -0.912438393867E+02 -0.41049E-02 -0.11291E-02 608 0.564E-01 0.134E-01
DAV: 12 -0.912466703502E+02 -0.28310E-02 -0.26440E-03 642 0.277E-01 0.875E-02
DAV: 13 -0.912504024630E+02 -0.37321E-02 -0.11321E-03 642 0.166E-01 0.572E-02
DAV: 14 -0.912531468446E+02 -0.27444E-02 -0.55687E-04 792 0.169E-01 0.325E-02
DAV: 15 -0.912549682678E+02 -0.18214E-02 -0.27911E-04 669 0.988E-02 0.329E-02
DAV: 16 -0.912562978878E+02 -0.13296E-02 -0.16359E-04 669 0.607E-02 0.132E-02
DAV: 17 -0.912569651523E+02 -0.66726E-03 -0.85532E-05 701 0.435E-02 0.121E-02
DAV: 18 -0.912572771374E+02 -0.31199E-03 -0.43050E-05 653 0.328E-02 0.417E-03
DAV: 19 -0.912573425616E+02 -0.65424E-04 -0.53102E-06 464 0.123E-02 0.272E-03
DAV: 20 -0.912573706209E+02 -0.28059E-04 -0.43281E-06 455 0.123E-02 0.170E-03
DAV: 21 -0.912573837354E+02 -0.13115E-04 -0.15693E-06 447 0.665E-03 0.155E-03
DAV: 22 -0.912573873307E+02 -0.35953E-05 -0.91502E-07 428 0.559E-03
1 F= -.91257387E+02 E0= -.91263100E+02 d E =0.171372E-01