iterations/neb0_image03_iter46_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 0.368234853324E+03 0.36823E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.406385953018E+01 -0.36417E+03 -0.35095E+03 845 0.195E+02
DAV: 3 -0.952224999944E+02 -0.99286E+02 -0.98949E+02 648 0.116E+02
DAV: 4 -0.100028763932E+03 -0.48063E+01 -0.47960E+01 712 0.297E+01
DAV: 5 -0.100122905287E+03 -0.94141E-01 -0.94103E-01 736 0.376E+00 0.223E+01
DAV: 6 -0.915341543769E+02 0.85888E+01 -0.30498E+01 688 0.296E+01 0.117E+01
DAV: 7 -0.906819759393E+02 0.85218E+00 -0.18316E+00 696 0.638E+00 0.482E+00
DAV: 8 -0.902787908017E+02 0.40319E+00 -0.56633E-01 696 0.429E+00 0.165E+00
DAV: 9 -0.901840151627E+02 0.94776E-01 -0.13808E-01 696 0.167E+00 0.435E-01
DAV: 10 -0.901757365823E+02 0.82786E-02 -0.49273E-02 720 0.125E+00 0.337E-01
DAV: 11 -0.901791938310E+02 -0.34572E-02 -0.81708E-03 616 0.539E-01 0.129E-01
DAV: 12 -0.901822314411E+02 -0.30376E-02 -0.62232E-03 623 0.379E-01 0.132E-01
DAV: 13 -0.901854157805E+02 -0.31843E-02 -0.14867E-03 848 0.343E-01 0.799E-02
DAV: 14 -0.901888189274E+02 -0.34031E-02 -0.11373E-03 634 0.163E-01 0.544E-02
DAV: 15 -0.901914096934E+02 -0.25908E-02 -0.35248E-04 688 0.973E-02 0.356E-02
DAV: 16 -0.901929054521E+02 -0.14958E-02 -0.37280E-04 656 0.107E-01 0.235E-02
DAV: 17 -0.901938907908E+02 -0.98534E-03 -0.98848E-05 674 0.602E-02 0.148E-02
DAV: 18 -0.901943052007E+02 -0.41441E-03 -0.10178E-04 653 0.507E-02 0.104E-02
DAV: 19 -0.901943697902E+02 -0.64589E-04 -0.46355E-06 512 0.204E-02 0.678E-03
DAV: 20 -0.901944269009E+02 -0.57111E-04 -0.22520E-05 487 0.294E-02 0.494E-03
DAV: 21 -0.901944615218E+02 -0.34621E-04 -0.43269E-06 464 0.171E-02 0.200E-03
DAV: 22 -0.901944768703E+02 -0.15348E-04 -0.46526E-06 456 0.107E-02 0.199E-03
DAV: 23 -0.901944791831E+02 -0.23129E-05 -0.57110E-07 528 0.433E-03
1 F= -.90194479E+02 E0= -.90203848E+02 d E =0.281074E-01