iterations/neb0_image08_iter198_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 0.373525959030E+03 0.37353E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.348213856334E+01 -0.37004E+03 -0.35768E+03 869 0.196E+02
DAV: 3 -0.966991012113E+02 -0.10018E+03 -0.99877E+02 669 0.116E+02
DAV: 4 -0.101241587239E+03 -0.45425E+01 -0.45297E+01 720 0.287E+01
DAV: 5 -0.101330212041E+03 -0.88625E-01 -0.88567E-01 712 0.363E+00 0.227E+01
DAV: 6 -0.926455262458E+02 0.86847E+01 -0.31085E+01 709 0.302E+01 0.119E+01
DAV: 7 -0.917868800488E+02 0.85865E+00 -0.17329E+00 720 0.616E+00 0.479E+00
DAV: 8 -0.914127521004E+02 0.37413E+00 -0.53585E-01 720 0.392E+00 0.163E+00
DAV: 9 -0.913314432568E+02 0.81309E-01 -0.13279E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913234228756E+02 0.80204E-02 -0.45086E-02 752 0.108E+00 0.302E-01
DAV: 11 -0.913283208155E+02 -0.48979E-02 -0.14168E-02 608 0.620E-01 0.153E-01
DAV: 12 -0.913311145847E+02 -0.27938E-02 -0.27871E-03 636 0.236E-01 0.109E-01
DAV: 13 -0.913347817202E+02 -0.36671E-02 -0.23633E-03 642 0.252E-01 0.520E-02
DAV: 14 -0.913381199001E+02 -0.33382E-02 -0.90282E-04 661 0.183E-01 0.309E-02
DAV: 15 -0.913392824976E+02 -0.11626E-02 -0.19109E-04 680 0.811E-02 0.234E-02
DAV: 16 -0.913402046179E+02 -0.92212E-03 -0.15218E-04 653 0.754E-02 0.102E-02
DAV: 17 -0.913408448242E+02 -0.64021E-03 -0.58513E-05 656 0.341E-02 0.127E-02
DAV: 18 -0.913410523267E+02 -0.20750E-03 -0.21992E-05 560 0.254E-02 0.612E-03
DAV: 19 -0.913411688988E+02 -0.11657E-03 -0.25263E-05 525 0.252E-02 0.533E-03
DAV: 20 -0.913411823041E+02 -0.13405E-04 -0.21823E-06 520 0.127E-02 0.281E-03
DAV: 21 -0.913411980800E+02 -0.15776E-04 -0.76200E-06 404 0.166E-02 0.337E-03
DAV: 22 -0.913412000092E+02 -0.19292E-05 -0.11041E-06 496 0.947E-03
1 F= -.91341200E+02 E0= -.91346025E+02 d E =0.144755E-01