./iterations/neb0_image02_iter3_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 0.367704586826E+03 0.36770E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.444419702273E+01 -0.36326E+03 -0.35048E+03 842 0.195E+02
DAV: 3 -0.948691952120E+02 -0.99313E+02 -0.98964E+02 672 0.117E+02
DAV: 4 -0.994021345591E+02 -0.45329E+01 -0.45216E+01 712 0.282E+01
DAV: 5 -0.994963237723E+02 -0.94189E-01 -0.94152E-01 728 0.356E+00 0.223E+01
DAV: 6 -0.905272932227E+02 0.89690E+01 -0.32052E+01 693 0.304E+01 0.117E+01
DAV: 7 -0.897168789716E+02 0.81041E+00 -0.18578E+00 712 0.642E+00 0.484E+00
DAV: 8 -0.893401630540E+02 0.37672E+00 -0.55858E-01 688 0.434E+00 0.175E+00
DAV: 9 -0.892504050325E+02 0.89758E-01 -0.13780E-01 720 0.166E+00 0.444E-01
DAV: 10 -0.892436586319E+02 0.67464E-02 -0.24816E-02 728 0.781E-01 0.286E-01
DAV: 11 -0.892459851349E+02 -0.23265E-02 -0.42684E-03 648 0.386E-01 0.134E-01
DAV: 12 -0.892502632153E+02 -0.42781E-02 -0.39754E-03 621 0.327E-01 0.119E-01
DAV: 13 -0.892536258514E+02 -0.33626E-02 -0.24828E-03 760 0.369E-01 0.710E-02
DAV: 14 -0.892561860670E+02 -0.25602E-02 -0.99712E-04 645 0.159E-01 0.563E-02
DAV: 15 -0.892578103387E+02 -0.16243E-02 -0.56987E-04 680 0.151E-01 0.262E-02
DAV: 16 -0.892595360172E+02 -0.17257E-02 -0.21376E-04 674 0.810E-02 0.221E-02
DAV: 17 -0.892603740346E+02 -0.83802E-03 -0.84992E-05 688 0.507E-02 0.902E-03
DAV: 18 -0.892608712637E+02 -0.49723E-03 -0.61405E-05 650 0.343E-02 0.964E-03
DAV: 19 -0.892610417290E+02 -0.17047E-03 -0.18544E-05 544 0.321E-02 0.353E-03
DAV: 20 -0.892611069992E+02 -0.65270E-04 -0.95100E-06 458 0.147E-02 0.378E-03
DAV: 21 -0.892611439333E+02 -0.36934E-04 -0.40925E-06 439 0.110E-02 0.200E-03
DAV: 22 -0.892611634613E+02 -0.19528E-04 -0.41041E-06 444 0.102E-02 0.232E-03
DAV: 23 -0.892611657228E+02 -0.22615E-05 -0.61614E-07 528 0.573E-03
1 F= -.89261166E+02 E0= -.89271107E+02 d E =0.298239E-01