iterations/neb0_image06_iter215_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 0.370536628485E+03 0.37054E+03 -0.14347E+04 640 0.799E+02
DAV: 2 0.423277615974E+01 -0.36630E+03 -0.35422E+03 858 0.193E+02
DAV: 3 -0.954724732955E+02 -0.99705E+02 -0.99357E+02 656 0.116E+02
DAV: 4 -0.100320090994E+03 -0.48476E+01 -0.48330E+01 728 0.292E+01
DAV: 5 -0.100420870861E+03 -0.10078E+00 -0.10072E+00 736 0.376E+00 0.225E+01
DAV: 6 -0.918575460526E+02 0.85633E+01 -0.30458E+01 688 0.302E+01 0.118E+01
DAV: 7 -0.910361803867E+02 0.82137E+00 -0.17597E+00 704 0.630E+00 0.480E+00
DAV: 8 -0.906610185976E+02 0.37516E+00 -0.54616E-01 704 0.412E+00 0.167E+00
DAV: 9 -0.905708333337E+02 0.90185E-01 -0.12949E-01 712 0.158E+00 0.424E-01
DAV: 10 -0.905606261141E+02 0.10207E-01 -0.37106E-02 744 0.956E-01 0.286E-01
DAV: 11 -0.905647919285E+02 -0.41658E-02 -0.94640E-03 602 0.499E-01 0.145E-01
DAV: 12 -0.905675985261E+02 -0.28066E-02 -0.26048E-03 620 0.280E-01 0.820E-02
DAV: 13 -0.905714323186E+02 -0.38338E-02 -0.13810E-03 636 0.168E-01 0.661E-02
DAV: 14 -0.905751808179E+02 -0.37485E-02 -0.12099E-03 701 0.237E-01 0.436E-02
DAV: 15 -0.905766371349E+02 -0.14563E-02 -0.26044E-04 749 0.101E-01 0.395E-02
DAV: 16 -0.905781871452E+02 -0.15500E-02 -0.45728E-04 687 0.127E-01 0.204E-02
DAV: 17 -0.905788144604E+02 -0.62732E-03 -0.10133E-04 717 0.606E-02 0.134E-02
DAV: 18 -0.905790560145E+02 -0.24155E-03 -0.26789E-05 584 0.212E-02 0.832E-03
DAV: 19 -0.905791768007E+02 -0.12079E-03 -0.16777E-05 457 0.223E-02 0.210E-03
DAV: 20 -0.905792065417E+02 -0.29741E-04 -0.73186E-06 477 0.133E-02 0.338E-03
DAV: 21 -0.905792219955E+02 -0.15454E-04 -0.23504E-06 417 0.589E-03 0.296E-03
DAV: 22 -0.905792240356E+02 -0.20401E-05 -0.10649E-06 464 0.717E-03
1 F= -.90579224E+02 E0= -.90584098E+02 d E =0.146207E-01