iterations/neb0_image07_iter258_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 0.371886703822E+03 0.37189E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.379363952720E+01 -0.36809E+03 -0.35641E+03 869 0.194E+02
DAV: 3 -0.966941757232E+02 -0.10049E+03 -0.10016E+03 693 0.116E+02
DAV: 4 -0.101202827399E+03 -0.45087E+01 -0.44975E+01 704 0.280E+01
DAV: 5 -0.101291324633E+03 -0.88497E-01 -0.88447E-01 736 0.354E+00 0.227E+01
DAV: 6 -0.926215989788E+02 0.86697E+01 -0.30924E+01 701 0.300E+01 0.119E+01
DAV: 7 -0.917636456382E+02 0.85795E+00 -0.17300E+00 736 0.617E+00 0.481E+00
DAV: 8 -0.913874748361E+02 0.37617E+00 -0.53887E-01 728 0.395E+00 0.162E+00
DAV: 9 -0.913051308259E+02 0.82344E-01 -0.12995E-01 712 0.155E+00 0.421E-01
DAV: 10 -0.912960440777E+02 0.90867E-02 -0.42927E-02 757 0.106E+00 0.296E-01
DAV: 11 -0.913006779951E+02 -0.46339E-02 -0.13528E-02 608 0.603E-01 0.154E-01
DAV: 12 -0.913035709801E+02 -0.28930E-02 -0.28495E-03 620 0.265E-01 0.906E-02
DAV: 13 -0.913072963871E+02 -0.37254E-02 -0.15817E-03 636 0.191E-01 0.507E-02
DAV: 14 -0.913107540655E+02 -0.34577E-02 -0.10105E-03 722 0.229E-01 0.494E-02
DAV: 15 -0.913121392775E+02 -0.13852E-02 -0.41074E-04 672 0.114E-01 0.352E-02
DAV: 16 -0.913129354400E+02 -0.79616E-03 -0.16896E-04 728 0.788E-02 0.124E-02
DAV: 17 -0.913138528598E+02 -0.91742E-03 -0.14397E-04 714 0.631E-02 0.167E-02
DAV: 18 -0.913140724887E+02 -0.21963E-03 -0.21698E-05 560 0.331E-02 0.864E-03
DAV: 19 -0.913141957028E+02 -0.12321E-03 -0.34845E-05 632 0.309E-02 0.575E-03
DAV: 20 -0.913142261591E+02 -0.30456E-04 -0.29421E-06 496 0.142E-02 0.265E-03
DAV: 21 -0.913142473585E+02 -0.21199E-04 -0.30526E-06 424 0.814E-03 0.101E-03
DAV: 22 -0.913142592159E+02 -0.11857E-04 -0.12162E-06 453 0.386E-03 0.637E-04
DAV: 23 -0.913142611185E+02 -0.19026E-05 -0.28616E-07 488 0.192E-03
1 F= -.91314261E+02 E0= -.91319144E+02 d E =0.146498E-01