iterations/neb0_image08_iter9_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 0.368222745322E+03 0.36822E+03 -0.14252E+04 624 0.799E+02
DAV: 2 0.224157434666E+01 -0.36598E+03 -0.35373E+03 877 0.195E+02
DAV: 3 -0.960555019088E+02 -0.98297E+02 -0.97948E+02 680 0.115E+02
DAV: 4 -0.100423167386E+03 -0.43677E+01 -0.43543E+01 704 0.276E+01
DAV: 5 -0.100511485985E+03 -0.88319E-01 -0.88267E-01 736 0.353E+00 0.221E+01
DAV: 6 -0.919288138863E+02 0.85827E+01 -0.30702E+01 712 0.300E+01 0.116E+01
DAV: 7 -0.910796430054E+02 0.84917E+00 -0.17288E+00 704 0.647E+00 0.477E+00
DAV: 8 -0.907034939628E+02 0.37615E+00 -0.61920E-01 712 0.422E+00 0.165E+00
DAV: 9 -0.906218724931E+02 0.81621E-01 -0.13099E-01 709 0.169E+00 0.463E-01
DAV: 10 -0.906128395802E+02 0.90329E-02 -0.24877E-02 752 0.759E-01 0.264E-01
DAV: 11 -0.906165153424E+02 -0.36758E-02 -0.11139E-02 637 0.604E-01 0.168E-01
DAV: 12 -0.906182375480E+02 -0.17222E-02 -0.37502E-03 712 0.416E-01 0.972E-02
DAV: 13 -0.906226253299E+02 -0.43878E-02 -0.33444E-03 646 0.311E-01 0.968E-02
DAV: 14 -0.906246008290E+02 -0.19755E-02 -0.10893E-03 768 0.208E-01 0.365E-02
DAV: 15 -0.906275108384E+02 -0.29100E-02 -0.85443E-04 698 0.168E-01 0.483E-02
DAV: 16 -0.906288289969E+02 -0.13182E-02 -0.20924E-04 797 0.109E-01 0.194E-02
DAV: 17 -0.906295559885E+02 -0.72699E-03 -0.17875E-04 663 0.734E-02 0.156E-02
DAV: 18 -0.906300705214E+02 -0.51453E-03 -0.38207E-05 594 0.357E-02 0.104E-02
DAV: 19 -0.906302822780E+02 -0.21176E-03 -0.38877E-05 677 0.329E-02 0.443E-03
DAV: 20 -0.906303583137E+02 -0.76036E-04 -0.94264E-06 439 0.246E-02 0.283E-03
DAV: 21 -0.906303863256E+02 -0.28012E-04 -0.53982E-06 479 0.104E-02 0.306E-03
DAV: 22 -0.906303894315E+02 -0.31059E-05 -0.11311E-06 517 0.745E-03
1 F= -.90630389E+02 E0= -.90634284E+02 d E =0.116833E-01