iterations/neb0_image07_iter203_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 0.371017203131E+03 0.37102E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.348304418120E+01 -0.36753E+03 -0.35524E+03 869 0.194E+02
DAV: 3 -0.965359194938E+02 -0.10002E+03 -0.99713E+02 685 0.116E+02
DAV: 4 -0.101084133029E+03 -0.45482E+01 -0.45355E+01 720 0.280E+01
DAV: 5 -0.101175367841E+03 -0.91235E-01 -0.91178E-01 728 0.355E+00 0.226E+01
DAV: 6 -0.925764397811E+02 0.85989E+01 -0.30688E+01 717 0.299E+01 0.118E+01
DAV: 7 -0.917301267091E+02 0.84631E+00 -0.17283E+00 712 0.617E+00 0.479E+00
DAV: 8 -0.913581576325E+02 0.37197E+00 -0.53488E-01 728 0.396E+00 0.162E+00
DAV: 9 -0.912769310338E+02 0.81227E-01 -0.12926E-01 728 0.156E+00 0.419E-01
DAV: 10 -0.912682575505E+02 0.86735E-02 -0.40959E-02 736 0.105E+00 0.290E-01
DAV: 11 -0.912727018670E+02 -0.44443E-02 -0.12071E-02 616 0.575E-01 0.146E-01
DAV: 12 -0.912754155455E+02 -0.27137E-02 -0.23737E-03 640 0.250E-01 0.921E-02
DAV: 13 -0.912794580825E+02 -0.40425E-02 -0.18259E-03 634 0.217E-01 0.531E-02
DAV: 14 -0.912818033690E+02 -0.23453E-02 -0.51952E-04 816 0.182E-01 0.349E-02
DAV: 15 -0.912841016878E+02 -0.22983E-02 -0.44974E-04 647 0.103E-01 0.324E-02
DAV: 16 -0.912850319580E+02 -0.93027E-03 -0.12365E-04 728 0.716E-02 0.129E-02
DAV: 17 -0.912858725416E+02 -0.84058E-03 -0.15950E-04 733 0.682E-02 0.179E-02
DAV: 18 -0.912860642301E+02 -0.19169E-03 -0.37834E-05 624 0.489E-02 0.799E-03
DAV: 19 -0.912861115276E+02 -0.47297E-04 -0.17009E-05 541 0.219E-02 0.538E-03
DAV: 20 -0.912862039430E+02 -0.92415E-04 -0.92182E-06 417 0.144E-02 0.231E-03
DAV: 21 -0.912862302425E+02 -0.26299E-04 -0.35849E-06 496 0.102E-02 0.166E-03
DAV: 22 -0.912862437035E+02 -0.13461E-04 -0.16584E-06 414 0.650E-03 0.109E-03
DAV: 23 -0.912862468965E+02 -0.31931E-05 -0.10186E-06 496 0.599E-03
1 F= -.91286247E+02 E0= -.91291569E+02 d E =0.159661E-01