iterations/neb0_image05_iter27_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finishedN E dE d eps ncg rms rms(c) DAV: 1 0.366316617738E+03 0.36632E+03 -0.14282E+04 632 0.799E+02 DAV: 2 0.478264910556E+01 -0.36153E+03 -0.34960E+03 866 0.194E+02 DAV: 3 -0.929280294693E+02 -0.97711E+02 -0.97275E+02 648 0.115E+02 DAV: 4 -0.977141667262E+02 -0.47861E+01 -0.47703E+01 720 0.296E+01 DAV: 5 -0.978148717477E+02 -0.10071E+00 -0.10066E+00 701 0.383E+00 0.216E+01 DAV: 6 -0.894960017664E+02 0.83189E+01 -0.30403E+01 696 0.298E+01 0.111E+01 DAV: 7 -0.887425612828E+02 0.75344E+00 -0.16419E+00 712 0.660E+00 0.471E+00 DAV: 8 -0.883779841344E+02 0.36458E+00 -0.60915E-01 712 0.435E+00 0.165E+00 DAV: 9 -0.882909528226E+02 0.87031E-01 -0.12992E-01 717 0.166E+00 0.451E-01 DAV: 10 -0.882812596361E+02 0.96932E-02 -0.25218E-02 768 0.819E-01 0.291E-01 DAV: 11 -0.882837461450E+02 -0.24865E-02 -0.13196E-02 663 0.839E-01 0.158E-01 DAV: 12 -0.882849542015E+02 -0.12081E-02 -0.34264E-03 701 0.338E-01 0.129E-01 DAV: 13 -0.882869795307E+02 -0.20253E-02 -0.32940E-03 628 0.362E-01 0.119E-01 DAV: 14 -0.882883287305E+02 -0.13492E-02 -0.20545E-03 872 0.495E-01 0.869E-02 DAV: 15 -0.882897730396E+02 -0.14443E-02 -0.13829E-03 642 0.205E-01 0.119E-01 DAV: 16 -0.882910233613E+02 -0.12503E-02 -0.77969E-04 861 0.233E-01 0.458E-02 DAV: 17 -0.882929325729E+02 -0.19092E-02 -0.38179E-04 852 0.168E-01 0.235E-02 DAV: 18 -0.882937668271E+02 -0.83425E-03 -0.20532E-04 685 0.714E-02 0.247E-02 DAV: 19 -0.882942434542E+02 -0.47663E-03 -0.12238E-04 658 0.673E-02 0.171E-02 DAV: 20 -0.882944587326E+02 -0.21528E-03 -0.30536E-05 624 0.441E-02 0.148E-02 DAV: 21 -0.882948288666E+02 -0.37013E-03 -0.55531E-05 574 0.395E-02 0.123E-02 DAV: 22 -0.882949051131E+02 -0.76247E-04 -0.28281E-05 552 0.372E-02 0.608E-03 DAV: 23 -0.882949377669E+02 -0.32654E-04 -0.94725E-06 472 0.202E-02 0.501E-03 DAV: 24 -0.882949639048E+02 -0.26138E-04 -0.50326E-06 442 0.113E-02 0.362E-03 DAV: 25 -0.882949750092E+02 -0.11104E-04 -0.16490E-06 469 0.726E-03 0.154E-03 DAV: 26 -0.882949804150E+02 -0.54058E-05 -0.17307E-06 453 0.772E-03 1 F= -.88294980E+02 E0= -.88303358E+02 d E =0.251328E-01