iterations/neb0_image01_iter236_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 0.365088317256E+03 0.36509E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.321907390228E+01 -0.36187E+03 -0.34877E+03 839 0.196E+02
DAV: 3 -0.954903656868E+02 -0.98709E+02 -0.98365E+02 653 0.116E+02
DAV: 4 -0.100199796951E+03 -0.47094E+01 -0.46971E+01 704 0.293E+01
DAV: 5 -0.100293263755E+03 -0.93467E-01 -0.93420E-01 736 0.371E+00 0.222E+01
DAV: 6 -0.916862635642E+02 0.86070E+01 -0.31042E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908901326425E+02 0.79613E+00 -0.18234E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905143147033E+02 0.37582E+00 -0.55161E-01 704 0.428E+00 0.168E+00
DAV: 9 -0.904308381326E+02 0.83477E-01 -0.13367E-01 720 0.164E+00 0.423E-01
DAV: 10 -0.904261845013E+02 0.46536E-02 -0.46506E-02 712 0.123E+00 0.319E-01
DAV: 11 -0.904301472676E+02 -0.39628E-02 -0.70619E-03 608 0.526E-01 0.128E-01
DAV: 12 -0.904337345072E+02 -0.35872E-02 -0.70201E-03 632 0.478E-01 0.135E-01
DAV: 13 -0.904361206820E+02 -0.23862E-02 -0.17171E-03 869 0.320E-01 0.747E-02
DAV: 14 -0.904392171808E+02 -0.30965E-02 -0.13956E-03 642 0.184E-01 0.648E-02
DAV: 15 -0.904410006726E+02 -0.17835E-02 -0.33495E-04 680 0.109E-01 0.528E-02
DAV: 16 -0.904423961030E+02 -0.13954E-02 -0.95717E-04 669 0.189E-01 0.350E-02
DAV: 17 -0.904431761272E+02 -0.78002E-03 -0.12840E-04 672 0.748E-02 0.318E-02
DAV: 18 -0.904434943821E+02 -0.31825E-03 -0.10631E-04 664 0.548E-02 0.131E-02
DAV: 19 -0.904436429615E+02 -0.14858E-03 -0.54595E-05 661 0.386E-02 0.872E-03
DAV: 20 -0.904436777535E+02 -0.34792E-04 -0.36741E-06 480 0.146E-02 0.939E-03
DAV: 21 -0.904437163024E+02 -0.38549E-04 -0.84387E-06 420 0.189E-02 0.526E-03
DAV: 22 -0.904437220837E+02 -0.57813E-05 -0.69611E-06 488 0.149E-02
1 F= -.90443722E+02 E0= -.90449283E+02 d E =0.166842E-01