iterations/neb0_image05_iter137_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 0.368579870223E+03 0.36858E+03 -0.14341E+04 640 0.799E+02
DAV: 2 0.304638394929E+01 -0.36553E+03 -0.35256E+03 874 0.193E+02
DAV: 3 -0.944068811951E+02 -0.97453E+02 -0.97069E+02 632 0.115E+02
DAV: 4 -0.991898100116E+02 -0.47829E+01 -0.47697E+01 728 0.299E+01
DAV: 5 -0.992901930700E+02 -0.10038E+00 -0.10034E+00 728 0.385E+00 0.222E+01
DAV: 6 -0.907632791640E+02 0.85269E+01 -0.29804E+01 677 0.296E+01 0.115E+01
DAV: 7 -0.899150738059E+02 0.84821E+00 -0.17677E+00 720 0.650E+00 0.475E+00
DAV: 8 -0.895344818607E+02 0.38059E+00 -0.55677E-01 720 0.426E+00 0.170E+00
DAV: 9 -0.894435765503E+02 0.90905E-01 -0.14392E-01 720 0.167E+00 0.467E-01
DAV: 10 -0.894352861801E+02 0.82904E-02 -0.22187E-02 736 0.798E-01 0.302E-01
DAV: 11 -0.894355639570E+02 -0.27778E-03 -0.82504E-03 714 0.554E-01 0.193E-01
DAV: 12 -0.894387107766E+02 -0.31468E-02 -0.43524E-03 607 0.401E-01 0.108E-01
DAV: 13 -0.894414097052E+02 -0.26989E-02 -0.15162E-03 676 0.211E-01 0.818E-02
DAV: 14 -0.894455066594E+02 -0.40970E-02 -0.11516E-03 639 0.197E-01 0.475E-02
DAV: 15 -0.894483518612E+02 -0.28452E-02 -0.51505E-04 674 0.106E-01 0.312E-02
DAV: 16 -0.894504258051E+02 -0.20739E-02 -0.31924E-04 773 0.100E-01 0.236E-02
DAV: 17 -0.894512459736E+02 -0.82017E-03 -0.88819E-05 682 0.660E-02 0.950E-03
DAV: 18 -0.894517948602E+02 -0.54889E-03 -0.98459E-05 644 0.513E-02 0.129E-02
DAV: 19 -0.894519585124E+02 -0.16365E-03 -0.23855E-05 538 0.368E-02 0.665E-03
DAV: 20 -0.894519917290E+02 -0.33217E-04 -0.11020E-05 520 0.204E-02 0.365E-03
DAV: 21 -0.894520647101E+02 -0.72981E-04 -0.11734E-05 402 0.172E-02 0.309E-03
DAV: 22 -0.894520843819E+02 -0.19672E-04 -0.30671E-06 461 0.755E-03 0.290E-03
DAV: 23 -0.894520879985E+02 -0.36166E-05 -0.12660E-06 520 0.743E-03
1 F= -.89452088E+02 E0= -.89460022E+02 d E =0.238012E-01