iterations/neb0_image05_iter111_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 0.372797942394E+03 0.37280E+03 -0.14302E+04 632 0.799E+02
DAV: 2 0.368132771967E+01 -0.36912E+03 -0.35684E+03 882 0.194E+02
DAV: 3 -0.940883924113E+02 -0.97770E+02 -0.97407E+02 629 0.116E+02
DAV: 4 -0.988024602969E+02 -0.47141E+01 -0.47018E+01 704 0.301E+01
DAV: 5 -0.989038835653E+02 -0.10142E+00 -0.10137E+00 728 0.391E+00 0.219E+01
DAV: 6 -0.905613117498E+02 0.83426E+01 -0.28656E+01 682 0.288E+01 0.112E+01
DAV: 7 -0.896848642830E+02 0.87645E+00 -0.18063E+00 736 0.668E+00 0.469E+00
DAV: 8 -0.892946636341E+02 0.39020E+00 -0.62252E-01 704 0.448E+00 0.157E+00
DAV: 9 -0.892121552153E+02 0.82508E-01 -0.12539E-01 728 0.167E+00 0.447E-01
DAV: 10 -0.892005310243E+02 0.11624E-01 -0.51155E-02 736 0.122E+00 0.344E-01
DAV: 11 -0.892022214489E+02 -0.16904E-02 -0.12213E-02 656 0.636E-01 0.124E-01
DAV: 12 -0.892038946953E+02 -0.16732E-02 -0.33618E-03 669 0.317E-01 0.126E-01
DAV: 13 -0.892096292322E+02 -0.57345E-02 -0.30311E-03 671 0.375E-01 0.736E-02
DAV: 14 -0.892122469924E+02 -0.26178E-02 -0.85178E-04 696 0.150E-01 0.553E-02
DAV: 15 -0.892152444820E+02 -0.29975E-02 -0.10161E-03 631 0.187E-01 0.361E-02
DAV: 16 -0.892162807382E+02 -0.10363E-02 -0.12914E-04 712 0.728E-02 0.245E-02
DAV: 17 -0.892173965011E+02 -0.11158E-02 -0.20740E-04 625 0.722E-02 0.107E-02
DAV: 18 -0.892178658866E+02 -0.46939E-03 -0.45277E-05 624 0.365E-02 0.662E-03
DAV: 19 -0.892180000027E+02 -0.13412E-03 -0.11526E-05 480 0.184E-02 0.373E-03
DAV: 20 -0.892181031346E+02 -0.10313E-03 -0.19322E-05 489 0.216E-02 0.526E-03
DAV: 21 -0.892181278946E+02 -0.24760E-04 -0.33596E-06 488 0.108E-02 0.342E-03
DAV: 22 -0.892181348129E+02 -0.69183E-05 -0.40367E-06 448 0.112E-02
1 F= -.89218135E+02 E0= -.89222040E+02 d E =0.117157E-01