iterations/neb0_image04_iter265_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 0.366970776617E+03 0.36697E+03 -0.14306E+04 624 0.799E+02
DAV: 2 0.611793784089E+00 -0.36636E+03 -0.35521E+03 858 0.195E+02
DAV: 3 -0.960395121216E+02 -0.96651E+02 -0.96356E+02 656 0.116E+02
DAV: 4 -0.100367978782E+03 -0.43285E+01 -0.43189E+01 696 0.280E+01
DAV: 5 -0.100453231845E+03 -0.85253E-01 -0.85224E-01 736 0.351E+00 0.224E+01
DAV: 6 -0.916996341348E+02 0.87536E+01 -0.31297E+01 698 0.299E+01 0.118E+01
DAV: 7 -0.908358646968E+02 0.86377E+00 -0.18372E+00 720 0.662E+00 0.486E+00
DAV: 8 -0.904266010847E+02 0.40926E+00 -0.54591E-01 704 0.466E+00 0.182E+00
DAV: 9 -0.903355697041E+02 0.91031E-01 -0.15555E-01 736 0.226E+00 0.609E-01
DAV: 10 -0.903189101149E+02 0.16660E-01 -0.41837E-02 712 0.108E+00 0.361E-01
DAV: 11 -0.903204743542E+02 -0.15642E-02 -0.15582E-02 728 0.636E-01 0.247E-01
DAV: 12 -0.903232161780E+02 -0.27418E-02 -0.31182E-03 664 0.447E-01 0.129E-01
DAV: 13 -0.903267102756E+02 -0.34941E-02 -0.29764E-03 628 0.358E-01 0.122E-01
DAV: 14 -0.903294567708E+02 -0.27465E-02 -0.16533E-03 912 0.289E-01 0.591E-02
DAV: 15 -0.903325268737E+02 -0.30701E-02 -0.75020E-04 634 0.139E-01 0.418E-02
DAV: 16 -0.903347225232E+02 -0.21956E-02 -0.31370E-04 672 0.125E-01 0.251E-02
DAV: 17 -0.903360358841E+02 -0.13134E-02 -0.28579E-04 692 0.824E-02 0.285E-02
DAV: 18 -0.903364814903E+02 -0.44561E-03 -0.75480E-05 768 0.700E-02 0.120E-02
DAV: 19 -0.903367922042E+02 -0.31071E-03 -0.10857E-04 638 0.560E-02 0.136E-02
DAV: 20 -0.903368768458E+02 -0.84642E-04 -0.63508E-06 504 0.211E-02 0.991E-03
DAV: 21 -0.903369423571E+02 -0.65511E-04 -0.39486E-05 615 0.377E-02 0.547E-03
DAV: 22 -0.903369602186E+02 -0.17861E-04 -0.31517E-06 488 0.149E-02 0.371E-03
DAV: 23 -0.903369640682E+02 -0.38497E-05 -0.35022E-06 485 0.103E-02
1 F= -.90336964E+02 E0= -.90345150E+02 d E =0.245572E-01