iterations/neb0_image04_iter124_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 0.370020370376E+03 0.37002E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.381835494215E+01 -0.36620E+03 -0.35429E+03 858 0.195E+02
DAV: 3 -0.955434419144E+02 -0.99362E+02 -0.99048E+02 685 0.116E+02
DAV: 4 -0.998992258957E+02 -0.43558E+01 -0.43446E+01 704 0.277E+01
DAV: 5 -0.999834371942E+02 -0.84211E-01 -0.84172E-01 728 0.348E+00 0.222E+01
DAV: 6 -0.914510962783E+02 0.85323E+01 -0.30115E+01 693 0.295E+01 0.116E+01
DAV: 7 -0.905958400574E+02 0.85526E+00 -0.17504E+00 720 0.627E+00 0.479E+00
DAV: 8 -0.901970169486E+02 0.39882E+00 -0.55593E-01 712 0.421E+00 0.164E+00
DAV: 9 -0.901025638500E+02 0.94453E-01 -0.13245E-01 720 0.177E+00 0.441E-01
DAV: 10 -0.900929303310E+02 0.96335E-02 -0.60325E-02 712 0.145E+00 0.357E-01
DAV: 11 -0.900970209403E+02 -0.40906E-02 -0.15943E-02 632 0.756E-01 0.147E-01
DAV: 12 -0.900986101867E+02 -0.15892E-02 -0.52853E-03 628 0.338E-01 0.145E-01
DAV: 13 -0.901016974840E+02 -0.30873E-02 -0.27395E-03 829 0.406E-01 0.773E-02
DAV: 14 -0.901057416018E+02 -0.40441E-02 -0.14681E-03 647 0.201E-01 0.673E-02
DAV: 15 -0.901079517263E+02 -0.22101E-02 -0.30928E-04 752 0.109E-01 0.441E-02
DAV: 16 -0.901097002732E+02 -0.17485E-02 -0.71129E-04 669 0.151E-01 0.330E-02
DAV: 17 -0.901106133260E+02 -0.91305E-03 -0.19553E-04 826 0.971E-02 0.144E-02
DAV: 18 -0.901110182144E+02 -0.40489E-03 -0.60635E-05 589 0.369E-02 0.914E-03
DAV: 19 -0.901111641811E+02 -0.14597E-03 -0.25352E-05 536 0.251E-02 0.310E-03
DAV: 20 -0.901112330820E+02 -0.68901E-04 -0.59230E-06 431 0.138E-02 0.307E-03
DAV: 21 -0.901112547160E+02 -0.21634E-04 -0.37230E-06 488 0.779E-03 0.330E-03
DAV: 22 -0.901112650582E+02 -0.10342E-04 -0.23834E-06 412 0.946E-03 0.947E-04
DAV: 23 -0.901112659679E+02 -0.90972E-06 -0.84651E-07 544 0.487E-03
1 F= -.90111266E+02 E0= -.90115456E+02 d E =0.125702E-01