./iterations/neb0_image07_iter173_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 0.371079006832E+03 0.37108E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.318812363377E+01 -0.36789E+03 -0.35527E+03 869 0.194E+02
DAV: 3 -0.963738899982E+02 -0.99562E+02 -0.99243E+02 672 0.116E+02
DAV: 4 -0.101032379008E+03 -0.46585E+01 -0.46462E+01 696 0.287E+01
DAV: 5 -0.101128292017E+03 -0.95913E-01 -0.95843E-01 736 0.369E+00 0.226E+01
DAV: 6 -0.925547915186E+02 0.85735E+01 -0.30492E+01 736 0.298E+01 0.119E+01
DAV: 7 -0.917039320872E+02 0.85086E+00 -0.17223E+00 720 0.615E+00 0.478E+00
DAV: 8 -0.913338263206E+02 0.37011E+00 -0.52545E-01 728 0.394E+00 0.164E+00
DAV: 9 -0.912527607089E+02 0.81066E-01 -0.13099E-01 720 0.157E+00 0.420E-01
DAV: 10 -0.912444448412E+02 0.83159E-02 -0.42356E-02 770 0.108E+00 0.295E-01
DAV: 11 -0.912486228063E+02 -0.41780E-02 -0.11665E-02 608 0.570E-01 0.135E-01
DAV: 12 -0.912515522136E+02 -0.29294E-02 -0.26048E-03 606 0.254E-01 0.946E-02
DAV: 13 -0.912553708373E+02 -0.38186E-02 -0.13019E-03 650 0.186E-01 0.490E-02
DAV: 14 -0.912582518596E+02 -0.28810E-02 -0.50438E-04 789 0.158E-01 0.311E-02
DAV: 15 -0.912599439983E+02 -0.16921E-02 -0.25546E-04 685 0.903E-02 0.310E-02
DAV: 16 -0.912610908399E+02 -0.11468E-02 -0.15498E-04 669 0.649E-02 0.119E-02
DAV: 17 -0.912617346610E+02 -0.64382E-03 -0.70007E-05 677 0.408E-02 0.116E-02
DAV: 18 -0.912620257748E+02 -0.29111E-03 -0.43887E-05 680 0.394E-02 0.778E-03
DAV: 19 -0.912620949047E+02 -0.69130E-04 -0.71079E-06 456 0.208E-02 0.441E-03
DAV: 20 -0.912621154190E+02 -0.20514E-04 -0.98981E-06 501 0.182E-02 0.309E-03
DAV: 21 -0.912621382497E+02 -0.22831E-04 -0.31302E-06 409 0.149E-02 0.876E-04
DAV: 22 -0.912621468418E+02 -0.85921E-05 -0.22996E-06 463 0.676E-03
1 F= -.91262147E+02 E0= -.91267797E+02 d E =0.169506E-01