./iterations/neb0_image06_iter242_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 0.369941557520E+03 0.36994E+03 -0.14349E+04 640 0.799E+02
DAV: 2 0.366743289708E+01 -0.36627E+03 -0.35418E+03 866 0.193E+02
DAV: 3 -0.951980600642E+02 -0.98865E+02 -0.98495E+02 656 0.116E+02
DAV: 4 -0.100022848667E+03 -0.48248E+01 -0.48093E+01 728 0.291E+01
DAV: 5 -0.100124581620E+03 -0.10173E+00 -0.10168E+00 720 0.375E+00 0.224E+01
DAV: 6 -0.916234305822E+02 0.85012E+01 -0.30056E+01 693 0.301E+01 0.117E+01
DAV: 7 -0.908052097364E+02 0.81822E+00 -0.17224E+00 728 0.630E+00 0.479E+00
DAV: 8 -0.904336517047E+02 0.37156E+00 -0.56221E-01 704 0.418E+00 0.165E+00
DAV: 9 -0.903468334307E+02 0.86818E-01 -0.12774E-01 720 0.160E+00 0.428E-01
DAV: 10 -0.903370633163E+02 0.97701E-02 -0.36193E-02 709 0.936E-01 0.288E-01
DAV: 11 -0.903413097927E+02 -0.42465E-02 -0.10199E-02 602 0.530E-01 0.156E-01
DAV: 12 -0.903434175229E+02 -0.21077E-02 -0.26879E-03 629 0.301E-01 0.835E-02
DAV: 13 -0.903475135932E+02 -0.40961E-02 -0.18960E-03 641 0.209E-01 0.711E-02
DAV: 14 -0.903500716058E+02 -0.25580E-02 -0.61528E-04 816 0.189E-01 0.291E-02
DAV: 15 -0.903525634961E+02 -0.24919E-02 -0.37146E-04 636 0.939E-02 0.339E-02
DAV: 16 -0.903540284042E+02 -0.14649E-02 -0.20152E-04 677 0.867E-02 0.175E-02
DAV: 17 -0.903548714339E+02 -0.84303E-03 -0.15761E-04 653 0.604E-02 0.159E-02
DAV: 18 -0.903551145091E+02 -0.24308E-03 -0.27086E-05 549 0.298E-02 0.750E-03
DAV: 19 -0.903552169445E+02 -0.10244E-03 -0.26837E-05 512 0.298E-02 0.490E-03
DAV: 20 -0.903552400662E+02 -0.23122E-04 -0.40729E-06 498 0.144E-02 0.299E-03
DAV: 21 -0.903552614799E+02 -0.21414E-04 -0.38495E-06 415 0.101E-02 0.148E-03
DAV: 22 -0.903552683739E+02 -0.68940E-05 -0.12983E-06 464 0.932E-03
1 F= -.90355268E+02 E0= -.90359989E+02 d E =0.141617E-01