./iterations/neb0_image04_iter13_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 0.359241368393E+03 0.35924E+03 -0.14252E+04 632 0.799E+02
DAV: 2 0.607163951894E+01 -0.35317E+03 -0.34025E+03 834 0.192E+02
DAV: 3 -0.927333721319E+02 -0.98805E+02 -0.98329E+02 680 0.115E+02
DAV: 4 -0.975272584092E+02 -0.47939E+01 -0.47786E+01 712 0.285E+01
DAV: 5 -0.976308304792E+02 -0.10357E+00 -0.10352E+00 720 0.368E+00 0.212E+01
DAV: 6 -0.892742780131E+02 0.83566E+01 -0.31126E+01 701 0.297E+01 0.109E+01
DAV: 7 -0.885585575398E+02 0.71572E+00 -0.16249E+00 736 0.656E+00 0.471E+00
DAV: 8 -0.881986800377E+02 0.35988E+00 -0.62074E-01 720 0.442E+00 0.168E+00
DAV: 9 -0.881170417483E+02 0.81638E-01 -0.13208E-01 712 0.174E+00 0.439E-01
DAV: 10 -0.881102986377E+02 0.67431E-02 -0.29618E-02 733 0.786E-01 0.296E-01
DAV: 11 -0.881154942648E+02 -0.51956E-02 -0.19258E-02 608 0.882E-01 0.229E-01
DAV: 12 -0.881154928096E+02 0.14552E-05 -0.39723E-03 736 0.404E-01 0.156E-01
DAV: 13 -0.881192164660E+02 -0.37237E-02 -0.78404E-03 676 0.588E-01 0.121E-01
DAV: 14 -0.881214455204E+02 -0.22291E-02 -0.12717E-03 680 0.212E-01 0.896E-02
DAV: 15 -0.881233431678E+02 -0.18976E-02 -0.14852E-03 688 0.224E-01 0.324E-02
DAV: 16 -0.881251780871E+02 -0.18349E-02 -0.26201E-04 714 0.963E-02 0.152E-02
DAV: 17 -0.881259327693E+02 -0.75468E-03 -0.62228E-05 613 0.365E-02 0.110E-02
DAV: 18 -0.881266142428E+02 -0.68147E-03 -0.91817E-05 674 0.510E-02 0.110E-02
DAV: 19 -0.881267312687E+02 -0.11703E-03 -0.90275E-06 501 0.227E-02 0.745E-03
DAV: 20 -0.881268642843E+02 -0.13302E-03 -0.47502E-05 590 0.395E-02 0.801E-03
DAV: 21 -0.881268763541E+02 -0.12070E-04 -0.59384E-06 520 0.201E-02 0.468E-03
DAV: 22 -0.881268983338E+02 -0.21980E-04 -0.11617E-05 417 0.200E-02 0.352E-03
DAV: 23 -0.881269103331E+02 -0.11999E-04 -0.31974E-06 482 0.932E-03 0.382E-03
DAV: 24 -0.881269111328E+02 -0.79965E-06 -0.68529E-07 528 0.710E-03
1 F= -.88126911E+02 E0= -.88130778E+02 d E =0.116009E-01