iterations/neb0_image08_iter219_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 0.373531604871E+03 0.37353E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.264106664420E+01 -0.37089E+03 -0.35921E+03 877 0.196E+02
DAV: 3 -0.966374711864E+02 -0.99279E+02 -0.98976E+02 656 0.116E+02
DAV: 4 -0.101214666054E+03 -0.45772E+01 -0.45650E+01 728 0.289E+01
DAV: 5 -0.101305025378E+03 -0.90359E-01 -0.90310E-01 728 0.367E+00 0.227E+01
DAV: 6 -0.926432669396E+02 0.86618E+01 -0.30980E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917871023502E+02 0.85616E+00 -0.17240E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914137520481E+02 0.37335E+00 -0.54469E-01 720 0.395E+00 0.161E+00
DAV: 9 -0.913339922342E+02 0.79760E-01 -0.13012E-01 728 0.153E+00 0.418E-01
DAV: 10 -0.913261314753E+02 0.78608E-02 -0.43502E-02 752 0.105E+00 0.297E-01
DAV: 11 -0.913309655879E+02 -0.48341E-02 -0.12617E-02 608 0.583E-01 0.142E-01
DAV: 12 -0.913339528014E+02 -0.29872E-02 -0.26186E-03 636 0.224E-01 0.110E-01
DAV: 13 -0.913376097905E+02 -0.36570E-02 -0.21727E-03 639 0.242E-01 0.484E-02
DAV: 14 -0.913407144743E+02 -0.31047E-02 -0.65983E-04 653 0.153E-01 0.251E-02
DAV: 15 -0.913420499891E+02 -0.13355E-02 -0.14406E-04 680 0.650E-02 0.228E-02
DAV: 16 -0.913430750380E+02 -0.10250E-02 -0.16420E-04 642 0.749E-02 0.121E-02
DAV: 17 -0.913435769417E+02 -0.50190E-03 -0.43308E-05 600 0.348E-02 0.126E-02
DAV: 18 -0.913437881585E+02 -0.21122E-03 -0.38572E-05 656 0.347E-02 0.635E-03
DAV: 19 -0.913438729948E+02 -0.84836E-04 -0.10025E-05 448 0.173E-02 0.254E-03
DAV: 20 -0.913438937666E+02 -0.20772E-04 -0.36546E-06 496 0.829E-03 0.214E-03
DAV: 21 -0.913439066403E+02 -0.12874E-04 -0.16521E-06 423 0.644E-03 0.102E-03
DAV: 22 -0.913439105278E+02 -0.38875E-05 -0.10359E-06 437 0.440E-03
1 F= -.91343911E+02 E0= -.91348746E+02 d E =0.145076E-01