iterations/neb0_image05_iter151_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 0.362860833283E+03 0.36286E+03 -0.14325E+04 640 0.799E+02
DAV: 2 0.676546706486E+00 -0.36218E+03 -0.34958E+03 877 0.192E+02
DAV: 3 -0.951244091253E+02 -0.95801E+02 -0.95459E+02 664 0.114E+02
DAV: 4 -0.994611225142E+02 -0.43367E+01 -0.43271E+01 728 0.278E+01
DAV: 5 -0.995478379898E+02 -0.86715E-01 -0.86680E-01 736 0.351E+00 0.218E+01
DAV: 6 -0.911825916841E+02 0.83652E+01 -0.30226E+01 672 0.297E+01 0.114E+01
DAV: 7 -0.904167091702E+02 0.76588E+00 -0.17941E+00 736 0.634E+00 0.476E+00
DAV: 8 -0.900440459538E+02 0.37266E+00 -0.53695E-01 720 0.417E+00 0.167E+00
DAV: 9 -0.899516962665E+02 0.92350E-01 -0.12791E-01 736 0.159E+00 0.426E-01
DAV: 10 -0.899431355717E+02 0.85607E-02 -0.52398E-02 712 0.124E+00 0.335E-01
DAV: 11 -0.899470323991E+02 -0.38968E-02 -0.88237E-03 616 0.626E-01 0.116E-01
DAV: 12 -0.899496058925E+02 -0.25735E-02 -0.64997E-03 612 0.385E-01 0.147E-01
DAV: 13 -0.899522895770E+02 -0.26837E-02 -0.24315E-03 853 0.377E-01 0.819E-02
DAV: 14 -0.899555794614E+02 -0.32899E-02 -0.13312E-03 642 0.165E-01 0.736E-02
DAV: 15 -0.899582100207E+02 -0.26306E-02 -0.41382E-04 720 0.119E-01 0.436E-02
DAV: 16 -0.899597439408E+02 -0.15339E-02 -0.73118E-04 690 0.147E-01 0.391E-02
DAV: 17 -0.899604606284E+02 -0.71669E-03 -0.19679E-04 845 0.982E-02 0.157E-02
DAV: 18 -0.899608049624E+02 -0.34433E-03 -0.70837E-05 677 0.407E-02 0.834E-03
DAV: 19 -0.899609352878E+02 -0.13033E-03 -0.85011E-06 477 0.125E-02 0.580E-03
DAV: 20 -0.899610089343E+02 -0.73646E-04 -0.11301E-05 456 0.194E-02 0.180E-03
DAV: 21 -0.899610382081E+02 -0.29274E-04 -0.49510E-06 488 0.974E-03 0.277E-03
DAV: 22 -0.899610435628E+02 -0.53547E-05 -0.12933E-06 480 0.654E-03
1 F= -.89961044E+02 E0= -.89968875E+02 d E =0.234957E-01