iterations/neb0_image04_iter95_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 0.370370114289E+03 0.37037E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.505731064583E+01 -0.36531E+03 -0.35160E+03 842 0.195E+02
DAV: 3 -0.954396206457E+02 -0.10050E+03 -0.10018E+03 693 0.117E+02
DAV: 4 -0.998105839480E+02 -0.43710E+01 -0.43607E+01 712 0.276E+01
DAV: 5 -0.998942085187E+02 -0.83625E-01 -0.83588E-01 720 0.345E+00 0.222E+01
DAV: 6 -0.914088577068E+02 0.84854E+01 -0.30009E+01 685 0.294E+01 0.116E+01
DAV: 7 -0.905608405227E+02 0.84802E+00 -0.17365E+00 712 0.626E+00 0.479E+00
DAV: 8 -0.901639124805E+02 0.39693E+00 -0.55602E-01 728 0.422E+00 0.165E+00
DAV: 9 -0.900691564124E+02 0.94756E-01 -0.13376E-01 720 0.176E+00 0.437E-01
DAV: 10 -0.900597825899E+02 0.93738E-02 -0.57365E-02 704 0.135E+00 0.350E-01
DAV: 11 -0.900638676035E+02 -0.40850E-02 -0.14080E-02 616 0.698E-01 0.140E-01
DAV: 12 -0.900657588957E+02 -0.18913E-02 -0.46252E-03 647 0.309E-01 0.138E-01
DAV: 13 -0.900693865031E+02 -0.36276E-02 -0.24487E-03 853 0.377E-01 0.752E-02
DAV: 14 -0.900729555439E+02 -0.35690E-02 -0.12649E-03 650 0.170E-01 0.647E-02
DAV: 15 -0.900752538779E+02 -0.22983E-02 -0.33660E-04 733 0.116E-01 0.369E-02
DAV: 16 -0.900769580752E+02 -0.17042E-02 -0.57276E-04 677 0.129E-01 0.320E-02
DAV: 17 -0.900779173604E+02 -0.95929E-03 -0.17237E-04 810 0.846E-02 0.151E-02
DAV: 18 -0.900782352788E+02 -0.31792E-03 -0.52380E-05 600 0.334E-02 0.774E-03
DAV: 19 -0.900783967745E+02 -0.16150E-03 -0.21898E-05 511 0.193E-02 0.520E-03
DAV: 20 -0.900784155914E+02 -0.18817E-04 -0.20735E-06 528 0.770E-03 0.386E-03
DAV: 21 -0.900784520710E+02 -0.36480E-04 -0.48254E-06 392 0.106E-02 0.146E-03
DAV: 22 -0.900784602077E+02 -0.81367E-05 -0.21507E-06 480 0.677E-03
1 F= -.90078460E+02 E0= -.90082480E+02 d E =0.120593E-01