iterations/neb0_image09_iter259_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 0.374137972289E+03 0.37414E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.330810009300E+01 -0.37083E+03 -0.35818E+03 869 0.196E+02
DAV: 3 -0.967631415376E+02 -0.10007E+03 -0.99743E+02 661 0.117E+02
DAV: 4 -0.101282748421E+03 -0.45196E+01 -0.45091E+01 720 0.287E+01
DAV: 5 -0.101371240423E+03 -0.88492E-01 -0.88455E-01 736 0.364E+00 0.227E+01
DAV: 6 -0.926818169055E+02 0.86894E+01 -0.31029E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.918124322813E+02 0.86938E+00 -0.17183E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914365260046E+02 0.37591E+00 -0.54127E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913552372603E+02 0.81289E-01 -0.13243E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913471146040E+02 0.81227E-02 -0.44603E-02 768 0.108E+00 0.302E-01
DAV: 11 -0.913516242754E+02 -0.45097E-02 -0.12598E-02 608 0.586E-01 0.138E-01
DAV: 12 -0.913547128797E+02 -0.30886E-02 -0.27976E-03 623 0.237E-01 0.108E-01
DAV: 13 -0.913582952707E+02 -0.35824E-02 -0.16002E-03 685 0.211E-01 0.429E-02
DAV: 14 -0.913618424166E+02 -0.35471E-02 -0.68394E-04 656 0.154E-01 0.315E-02
DAV: 15 -0.913628879147E+02 -0.10455E-02 -0.11144E-04 712 0.700E-02 0.303E-02
DAV: 16 -0.913643036975E+02 -0.14158E-02 -0.38650E-04 634 0.110E-01 0.232E-02
DAV: 17 -0.913645921176E+02 -0.28842E-03 -0.58159E-05 688 0.594E-02 0.140E-02
DAV: 18 -0.913647830744E+02 -0.19096E-03 -0.50058E-05 637 0.369E-02 0.106E-02
DAV: 19 -0.913649381680E+02 -0.15509E-03 -0.16492E-05 453 0.203E-02 0.436E-03
DAV: 20 -0.913649772938E+02 -0.39126E-04 -0.73904E-06 496 0.144E-02 0.203E-03
DAV: 21 -0.913649993749E+02 -0.22081E-04 -0.42074E-06 426 0.104E-02 0.197E-03
DAV: 22 -0.913650050394E+02 -0.56646E-05 -0.11050E-06 480 0.459E-03
1 F= -.91365005E+02 E0= -.91369847E+02 d E =0.145256E-01