iterations/neb0_image06_iter219_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 0.373092382208E+03 0.37309E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.410278772707E+01 -0.36899E+03 -0.35659E+03 874 0.194E+02
DAV: 3 -0.954625950260E+02 -0.99565E+02 -0.99210E+02 656 0.116E+02
DAV: 4 -0.100267105268E+03 -0.48045E+01 -0.47898E+01 728 0.291E+01
DAV: 5 -0.100366946800E+03 -0.99842E-01 -0.99795E-01 733 0.375E+00 0.225E+01
DAV: 6 -0.918190077988E+02 0.85479E+01 -0.30356E+01 704 0.302E+01 0.118E+01
DAV: 7 -0.909943794480E+02 0.82463E+00 -0.17562E+00 704 0.630E+00 0.481E+00
DAV: 8 -0.906183328714E+02 0.37605E+00 -0.56138E-01 704 0.418E+00 0.166E+00
DAV: 9 -0.905291012252E+02 0.89232E-01 -0.12921E-01 712 0.160E+00 0.428E-01
DAV: 10 -0.905189264764E+02 0.10175E-01 -0.36130E-02 744 0.936E-01 0.285E-01
DAV: 11 -0.905230754909E+02 -0.41490E-02 -0.98432E-03 602 0.516E-01 0.154E-01
DAV: 12 -0.905255125998E+02 -0.24371E-02 -0.29167E-03 632 0.308E-01 0.827E-02
DAV: 13 -0.905294218074E+02 -0.39092E-02 -0.16819E-03 625 0.190E-01 0.690E-02
DAV: 14 -0.905328659821E+02 -0.34442E-02 -0.10309E-03 704 0.232E-01 0.391E-02
DAV: 15 -0.905346862336E+02 -0.18203E-02 -0.30359E-04 717 0.102E-01 0.369E-02
DAV: 16 -0.905362746802E+02 -0.15884E-02 -0.38011E-04 687 0.115E-01 0.181E-02
DAV: 17 -0.905369600859E+02 -0.68541E-03 -0.98661E-05 717 0.551E-02 0.139E-02
DAV: 18 -0.905371885787E+02 -0.22849E-03 -0.21444E-05 544 0.190E-02 0.838E-03
DAV: 19 -0.905373266418E+02 -0.13806E-03 -0.26066E-05 490 0.276E-02 0.266E-03
DAV: 20 -0.905373525288E+02 -0.25887E-04 -0.38765E-06 496 0.104E-02 0.246E-03
DAV: 21 -0.905373673339E+02 -0.14805E-04 -0.23997E-06 401 0.661E-03 0.104E-03
DAV: 22 -0.905373689441E+02 -0.16102E-05 -0.44574E-07 504 0.299E-03
1 F= -.90537369E+02 E0= -.90542269E+02 d E =0.146996E-01