./iterations/neb0_image07_iter198_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 0.370678802179E+03 0.37068E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.348583895490E+01 -0.36719E+03 -0.35493E+03 869 0.194E+02
DAV: 3 -0.964915400077E+02 -0.99977E+02 -0.99679E+02 688 0.116E+02
DAV: 4 -0.101047023058E+03 -0.45555E+01 -0.45430E+01 720 0.280E+01
DAV: 5 -0.101138641155E+03 -0.91618E-01 -0.91567E-01 728 0.355E+00 0.226E+01
DAV: 6 -0.925552576827E+02 0.85834E+01 -0.30744E+01 725 0.300E+01 0.118E+01
DAV: 7 -0.917170457017E+02 0.83821E+00 -0.17261E+00 712 0.620E+00 0.479E+00
DAV: 8 -0.913466313528E+02 0.37041E+00 -0.53581E-01 720 0.397E+00 0.162E+00
DAV: 9 -0.912654109472E+02 0.81220E-01 -0.12891E-01 728 0.156E+00 0.419E-01
DAV: 10 -0.912567708595E+02 0.86401E-02 -0.41770E-02 720 0.107E+00 0.292E-01
DAV: 11 -0.912611427229E+02 -0.43719E-02 -0.11691E-02 616 0.556E-01 0.142E-01
DAV: 12 -0.912640451137E+02 -0.29024E-02 -0.24919E-03 640 0.262E-01 0.949E-02
DAV: 13 -0.912678052494E+02 -0.37601E-02 -0.15436E-03 639 0.197E-01 0.519E-02
DAV: 14 -0.912710761660E+02 -0.32709E-02 -0.95691E-04 818 0.234E-01 0.483E-02
DAV: 15 -0.912724369603E+02 -0.13608E-02 -0.40431E-04 664 0.118E-01 0.368E-02
DAV: 16 -0.912734089534E+02 -0.97199E-03 -0.19299E-04 752 0.774E-02 0.147E-02
DAV: 17 -0.912742592659E+02 -0.85031E-03 -0.12128E-04 728 0.557E-02 0.145E-02
DAV: 18 -0.912745348135E+02 -0.27555E-03 -0.27830E-05 560 0.365E-02 0.621E-03
DAV: 19 -0.912746609328E+02 -0.12612E-03 -0.32753E-05 562 0.282E-02 0.684E-03
DAV: 20 -0.912746742157E+02 -0.13283E-04 -0.22916E-06 520 0.148E-02 0.358E-03
DAV: 21 -0.912746985910E+02 -0.24375E-04 -0.78561E-06 409 0.171E-02 0.240E-03
DAV: 22 -0.912747095329E+02 -0.10942E-04 -0.16044E-06 439 0.750E-03 0.170E-03
DAV: 23 -0.912747110866E+02 -0.15537E-05 -0.58186E-07 512 0.426E-03
1 F= -.91274711E+02 E0= -.91279121E+02 d E =0.132302E-01