iterations/neb0_image05_iter131_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 0.368915960301E+03 0.36892E+03 -0.14338E+04 640 0.799E+02
DAV: 2 0.397570034156E+01 -0.36494E+03 -0.35205E+03 866 0.193E+02
DAV: 3 -0.942594179665E+02 -0.98235E+02 -0.97836E+02 640 0.116E+02
DAV: 4 -0.990344406399E+02 -0.47750E+01 -0.47618E+01 728 0.300E+01
DAV: 5 -0.991343708004E+02 -0.99930E-01 -0.99883E-01 728 0.387E+00 0.220E+01
DAV: 6 -0.906635103753E+02 0.84709E+01 -0.29335E+01 672 0.293E+01 0.114E+01
DAV: 7 -0.897905330112E+02 0.87298E+00 -0.17903E+00 728 0.662E+00 0.472E+00
DAV: 8 -0.894007043694E+02 0.38983E+00 -0.59167E-01 720 0.437E+00 0.163E+00
DAV: 9 -0.893115253628E+02 0.89179E-01 -0.13927E-01 728 0.168E+00 0.446E-01
DAV: 10 -0.893016513071E+02 0.98741E-02 -0.31202E-02 781 0.939E-01 0.295E-01
DAV: 11 -0.893035940746E+02 -0.19428E-02 -0.68449E-03 637 0.426E-01 0.140E-01
DAV: 12 -0.893051477497E+02 -0.15537E-02 -0.11456E-03 704 0.244E-01 0.101E-01
DAV: 13 -0.893095396191E+02 -0.43919E-02 -0.22788E-03 625 0.284E-01 0.808E-02
DAV: 14 -0.893124719806E+02 -0.29324E-02 -0.45633E-04 744 0.129E-01 0.472E-02
DAV: 15 -0.893156155795E+02 -0.31436E-02 -0.82303E-04 626 0.162E-01 0.350E-02
DAV: 16 -0.893169702218E+02 -0.13546E-02 -0.14089E-04 829 0.896E-02 0.189E-02
DAV: 17 -0.893185889856E+02 -0.16188E-02 -0.27624E-04 628 0.841E-02 0.176E-02
DAV: 18 -0.893189877554E+02 -0.39877E-03 -0.29050E-05 565 0.369E-02 0.115E-02
DAV: 19 -0.893192111707E+02 -0.22342E-03 -0.70591E-05 631 0.494E-02 0.878E-03
DAV: 20 -0.893192850314E+02 -0.73861E-04 -0.74926E-06 512 0.245E-02 0.437E-03
DAV: 21 -0.893193483117E+02 -0.63280E-04 -0.16209E-05 441 0.198E-02 0.309E-03
DAV: 22 -0.893193617651E+02 -0.13453E-04 -0.27722E-06 501 0.887E-03 0.266E-03
DAV: 23 -0.893193676693E+02 -0.59041E-05 -0.17666E-06 406 0.904E-03
1 F= -.89319368E+02 E0= -.89327589E+02 d E =0.246639E-01