./iterations/neb0_image06_iter6_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 0.361222517890E+03 0.36122E+03 -0.14176E+04 624 0.799E+02
DAV: 2 0.680439005091E+01 -0.35442E+03 -0.34062E+03 858 0.192E+02
DAV: 3 -0.912177760726E+02 -0.98022E+02 -0.97427E+02 704 0.114E+02
DAV: 4 -0.959475063713E+02 -0.47297E+01 -0.47065E+01 704 0.275E+01
DAV: 5 -0.960518591307E+02 -0.10435E+00 -0.10428E+00 720 0.361E+00 0.217E+01
DAV: 6 -0.875958150855E+02 0.84560E+01 -0.32582E+01 680 0.317E+01 0.114E+01
DAV: 7 -0.868705782336E+02 0.72524E+00 -0.20452E+00 720 0.770E+00 0.495E+00
DAV: 8 -0.864821777739E+02 0.38840E+00 -0.64900E-01 720 0.450E+00 0.176E+00
DAV: 9 -0.863999648179E+02 0.82213E-01 -0.19333E-01 712 0.214E+00 0.746E-01
DAV: 10 -0.863904709900E+02 0.94938E-02 -0.24206E-02 757 0.992E-01 0.407E-01
DAV: 11 -0.863855356495E+02 0.49353E-02 -0.23765E-02 685 0.755E-01 0.297E-01
DAV: 12 -0.863871124858E+02 -0.15768E-02 -0.63792E-03 602 0.531E-01 0.126E-01
DAV: 13 -0.863906972651E+02 -0.35848E-02 -0.45355E-03 592 0.342E-01 0.132E-01
DAV: 14 -0.863946513457E+02 -0.39541E-02 -0.21141E-03 703 0.283E-01 0.554E-02
DAV: 15 -0.863968766715E+02 -0.22253E-02 -0.48772E-04 680 0.112E-01 0.494E-02
DAV: 16 -0.863989264150E+02 -0.20497E-02 -0.40121E-04 701 0.115E-01 0.220E-02
DAV: 17 -0.864002584456E+02 -0.13320E-02 -0.12046E-04 677 0.602E-02 0.127E-02
DAV: 18 -0.864009565661E+02 -0.69812E-03 -0.45667E-05 605 0.340E-02 0.707E-03
DAV: 19 -0.864013962102E+02 -0.43964E-03 -0.63636E-05 629 0.349E-02 0.783E-03
DAV: 20 -0.864014506340E+02 -0.54424E-04 -0.33394E-06 520 0.179E-02 0.456E-03
DAV: 21 -0.864015049913E+02 -0.54357E-04 -0.25672E-05 566 0.281E-02 0.755E-03
DAV: 22 -0.864015180651E+02 -0.13074E-04 -0.50243E-06 485 0.242E-02 0.211E-03
DAV: 23 -0.864015265039E+02 -0.84388E-05 -0.47837E-06 448 0.103E-02
1 F= -.86401527E+02 E0= -.86409792E+02 d E =0.247954E-01