./iterations/neb0_image09_iter63_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 0.374738565113E+03 0.37474E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.256462386776E+01 -0.37217E+03 -0.35980E+03 877 0.196E+02
DAV: 3 -0.966782565449E+02 -0.99243E+02 -0.98906E+02 656 0.117E+02
DAV: 4 -0.101216142042E+03 -0.45379E+01 -0.45287E+01 696 0.289E+01
DAV: 5 -0.101306062940E+03 -0.89921E-01 -0.89882E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926601988985E+02 0.86459E+01 -0.30858E+01 709 0.300E+01 0.119E+01
DAV: 7 -0.917981214335E+02 0.86208E+00 -0.17179E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914216447544E+02 0.37648E+00 -0.54484E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913387054999E+02 0.82939E-01 -0.13033E-01 704 0.154E+00 0.422E-01
DAV: 10 -0.913296789156E+02 0.90266E-02 -0.45699E-02 744 0.111E+00 0.304E-01
DAV: 11 -0.913343972786E+02 -0.47184E-02 -0.13814E-02 605 0.606E-01 0.155E-01
DAV: 12 -0.913373021802E+02 -0.29049E-02 -0.30614E-03 639 0.245E-01 0.113E-01
DAV: 13 -0.913410831382E+02 -0.37810E-02 -0.16665E-03 712 0.224E-01 0.442E-02
DAV: 14 -0.913445244599E+02 -0.34413E-02 -0.61143E-04 669 0.140E-01 0.317E-02
DAV: 15 -0.913458958239E+02 -0.13714E-02 -0.13937E-04 680 0.723E-02 0.342E-02
DAV: 16 -0.913472111639E+02 -0.13153E-02 -0.35148E-04 644 0.998E-02 0.204E-02
DAV: 17 -0.913475110841E+02 -0.29992E-03 -0.43132E-05 680 0.488E-02 0.138E-02
DAV: 18 -0.913477755446E+02 -0.26446E-03 -0.64467E-05 634 0.418E-02 0.133E-02
DAV: 19 -0.913478621601E+02 -0.86615E-04 -0.12051E-05 480 0.219E-02 0.609E-03
DAV: 20 -0.913478989274E+02 -0.36767E-04 -0.10960E-05 448 0.178E-02 0.171E-03
DAV: 21 -0.913479250485E+02 -0.26121E-04 -0.41775E-06 428 0.918E-03 0.175E-03
DAV: 22 -0.913479291244E+02 -0.40758E-05 -0.82907E-07 496 0.383E-03
1 F= -.91347929E+02 E0= -.91352665E+02 d E =0.142074E-01