iterations/neb0_image08_iter156_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 0.374063808244E+03 0.37406E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.376711275788E+01 -0.37030E+03 -0.35820E+03 863 0.196E+02
DAV: 3 -0.966514574138E+02 -0.10042E+03 -0.10011E+03 669 0.117E+02
DAV: 4 -0.101229294897E+03 -0.45778E+01 -0.45642E+01 720 0.285E+01
DAV: 5 -0.101319322492E+03 -0.90028E-01 -0.89973E-01 712 0.361E+00 0.227E+01
DAV: 6 -0.926345348898E+02 0.86848E+01 -0.31039E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.917763275574E+02 0.85821E+00 -0.17593E+00 712 0.616E+00 0.479E+00
DAV: 8 -0.914023003214E+02 0.37403E+00 -0.53875E-01 720 0.394E+00 0.163E+00
DAV: 9 -0.913208009598E+02 0.81499E-01 -0.13131E-01 720 0.155E+00 0.421E-01
DAV: 10 -0.913126647307E+02 0.81362E-02 -0.43511E-02 776 0.108E+00 0.296E-01
DAV: 11 -0.913172091832E+02 -0.45445E-02 -0.11949E-02 608 0.574E-01 0.135E-01
DAV: 12 -0.913202282572E+02 -0.30191E-02 -0.26737E-03 633 0.245E-01 0.104E-01
DAV: 13 -0.913236250691E+02 -0.33968E-02 -0.12949E-03 642 0.189E-01 0.437E-02
DAV: 14 -0.913268594005E+02 -0.32343E-02 -0.67453E-04 672 0.160E-01 0.332E-02
DAV: 15 -0.913282276734E+02 -0.13683E-02 -0.17608E-04 688 0.848E-02 0.343E-02
DAV: 16 -0.913296318967E+02 -0.14042E-02 -0.34194E-04 642 0.964E-02 0.180E-02
DAV: 17 -0.913300222474E+02 -0.39035E-03 -0.50940E-05 688 0.509E-02 0.135E-02
DAV: 18 -0.913302497541E+02 -0.22751E-03 -0.45947E-05 570 0.350E-02 0.112E-02
DAV: 19 -0.913303527736E+02 -0.10302E-03 -0.15708E-05 480 0.215E-02 0.588E-03
DAV: 20 -0.913303783648E+02 -0.25591E-04 -0.62794E-06 488 0.150E-02 0.270E-03
DAV: 21 -0.913303935453E+02 -0.15181E-04 -0.35854E-06 445 0.106E-02 0.144E-03
DAV: 22 -0.913304069726E+02 -0.13427E-04 -0.20516E-06 420 0.574E-03 0.175E-03
DAV: 23 -0.913304088481E+02 -0.18755E-05 -0.46828E-07 496 0.486E-03
1 F= -.91330409E+02 E0= -.91335835E+02 d E =0.162792E-01