./iterations/neb0_image07_iter269_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 0.371342286935E+03 0.37134E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.367643963268E+01 -0.36767E+03 -0.35633E+03 863 0.194E+02
DAV: 3 -0.964557513093E+02 -0.10013E+03 -0.99822E+02 672 0.116E+02
DAV: 4 -0.101174856464E+03 -0.47191E+01 -0.47070E+01 712 0.292E+01
DAV: 5 -0.101268279970E+03 -0.93424E-01 -0.93380E-01 728 0.372E+00 0.227E+01
DAV: 6 -0.926266750118E+02 0.86416E+01 -0.30965E+01 701 0.300E+01 0.119E+01
DAV: 7 -0.917683499228E+02 0.85833E+00 -0.17037E+00 736 0.612E+00 0.480E+00
DAV: 8 -0.913926386045E+02 0.37571E+00 -0.54526E-01 736 0.398E+00 0.162E+00
DAV: 9 -0.913100094606E+02 0.82629E-01 -0.12786E-01 720 0.152E+00 0.422E-01
DAV: 10 -0.913008548420E+02 0.91546E-02 -0.43900E-02 733 0.105E+00 0.298E-01
DAV: 11 -0.913057345463E+02 -0.48797E-02 -0.13573E-02 613 0.593E-01 0.156E-01
DAV: 12 -0.913087645087E+02 -0.30300E-02 -0.29054E-03 615 0.243E-01 0.104E-01
DAV: 13 -0.913124841471E+02 -0.37196E-02 -0.19358E-03 665 0.227E-01 0.486E-02
DAV: 14 -0.913160283553E+02 -0.35442E-02 -0.90038E-04 653 0.193E-01 0.357E-02
DAV: 15 -0.913172447370E+02 -0.12164E-02 -0.23491E-04 680 0.896E-02 0.280E-02
DAV: 16 -0.913180261740E+02 -0.78144E-03 -0.20973E-04 714 0.951E-02 0.151E-02
DAV: 17 -0.913187900775E+02 -0.76390E-03 -0.74921E-05 652 0.425E-02 0.132E-02
DAV: 18 -0.913189872374E+02 -0.19716E-03 -0.18947E-05 496 0.214E-02 0.939E-03
DAV: 19 -0.913191624551E+02 -0.17522E-03 -0.35881E-05 577 0.302E-02 0.339E-03
DAV: 20 -0.913191791742E+02 -0.16719E-04 -0.27285E-06 528 0.101E-02 0.304E-03
DAV: 21 -0.913192006410E+02 -0.21467E-04 -0.39945E-06 412 0.132E-02 0.147E-03
DAV: 22 -0.913192096293E+02 -0.89883E-05 -0.12537E-06 445 0.619E-03
1 F= -.91319210E+02 E0= -.91323818E+02 d E =0.138255E-01