iterations/neb0_image08_iter44_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 0.375599597038E+03 0.37560E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.374436576930E+01 -0.37186E+03 -0.35814E+03 869 0.196E+02
DAV: 3 -0.966651893426E+02 -0.10041E+03 -0.10007E+03 680 0.117E+02
DAV: 4 -0.101068735741E+03 -0.44035E+01 -0.43934E+01 696 0.280E+01
DAV: 5 -0.101154685535E+03 -0.85950E-01 -0.85913E-01 728 0.353E+00 0.226E+01
DAV: 6 -0.925364184468E+02 0.86183E+01 -0.30758E+01 690 0.302E+01 0.119E+01
DAV: 7 -0.916669555411E+02 0.86946E+00 -0.16832E+00 728 0.616E+00 0.481E+00
DAV: 8 -0.912872101615E+02 0.37975E+00 -0.56032E-01 696 0.404E+00 0.163E+00
DAV: 9 -0.912028633080E+02 0.84347E-01 -0.12854E-01 704 0.155E+00 0.430E-01
DAV: 10 -0.911932254737E+02 0.96378E-02 -0.45991E-02 728 0.110E+00 0.305E-01
DAV: 11 -0.911986526519E+02 -0.54272E-02 -0.16301E-02 605 0.663E-01 0.190E-01
DAV: 12 -0.912007805357E+02 -0.21279E-02 -0.26377E-03 647 0.242E-01 0.121E-01
DAV: 13 -0.912049929231E+02 -0.42124E-02 -0.32018E-03 645 0.294E-01 0.607E-02
DAV: 14 -0.912071574738E+02 -0.21646E-02 -0.52369E-04 672 0.153E-01 0.284E-02
DAV: 15 -0.912099676883E+02 -0.28102E-02 -0.39755E-04 625 0.865E-02 0.266E-02
DAV: 16 -0.912106303318E+02 -0.66264E-03 -0.54954E-05 696 0.501E-02 0.104E-02
DAV: 17 -0.912115769828E+02 -0.94665E-03 -0.16088E-04 628 0.617E-02 0.152E-02
DAV: 18 -0.912116967060E+02 -0.11972E-03 -0.11248E-05 504 0.327E-02 0.987E-03
DAV: 19 -0.912118296791E+02 -0.13297E-03 -0.60217E-05 603 0.416E-02 0.928E-03
DAV: 20 -0.912118431226E+02 -0.13443E-04 -0.48516E-06 520 0.214E-02 0.487E-03
DAV: 21 -0.912118608769E+02 -0.17754E-04 -0.48810E-06 398 0.111E-02 0.244E-03
DAV: 22 -0.912118721434E+02 -0.11266E-04 -0.40840E-06 442 0.136E-02 0.211E-03
DAV: 23 -0.912118733092E+02 -0.11658E-05 -0.12385E-06 512 0.623E-03
1 F= -.91211873E+02 E0= -.91217379E+02 d E =0.165176E-01