./iterations/neb0_image05_iter11_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 0.356122286723E+03 0.35612E+03 -0.14201E+04 632 0.799E+02
DAV: 2 0.571515645593E+01 -0.35041E+03 -0.33879E+03 858 0.191E+02
DAV: 3 -0.907081504936E+02 -0.96423E+02 -0.95824E+02 696 0.113E+02
DAV: 4 -0.955606198290E+02 -0.48525E+01 -0.48326E+01 696 0.279E+01
DAV: 5 -0.956732747323E+02 -0.11265E+00 -0.11259E+00 728 0.370E+00 0.211E+01
DAV: 6 -0.875520862201E+02 0.81212E+01 -0.31230E+01 728 0.303E+01 0.110E+01
DAV: 7 -0.868466245220E+02 0.70546E+00 -0.17581E+00 736 0.757E+00 0.479E+00
DAV: 8 -0.864986523034E+02 0.34797E+00 -0.66124E-01 728 0.446E+00 0.171E+00
DAV: 9 -0.864275207374E+02 0.71132E-01 -0.15332E-01 736 0.189E+00 0.529E-01
DAV: 10 -0.864197188442E+02 0.78019E-02 -0.29765E-02 856 0.108E+00 0.266E-01
DAV: 11 -0.864201002953E+02 -0.38145E-03 -0.65247E-03 632 0.480E-01 0.183E-01
DAV: 12 -0.864236290980E+02 -0.35288E-02 -0.76830E-03 680 0.492E-01 0.126E-01
DAV: 13 -0.864274481105E+02 -0.38190E-02 -0.21178E-03 761 0.313E-01 0.780E-02
DAV: 14 -0.864302142015E+02 -0.27661E-02 -0.14879E-03 650 0.185E-01 0.592E-02
DAV: 15 -0.864317386015E+02 -0.15244E-02 -0.88523E-04 696 0.193E-01 0.443E-02
DAV: 16 -0.864334289757E+02 -0.16904E-02 -0.48902E-04 778 0.140E-01 0.317E-02
DAV: 17 -0.864339234316E+02 -0.49446E-03 -0.12240E-04 776 0.744E-02 0.162E-02
DAV: 18 -0.864343825192E+02 -0.45909E-03 -0.98573E-05 634 0.555E-02 0.101E-02
DAV: 19 -0.864347635239E+02 -0.38100E-03 -0.32415E-05 605 0.280E-02 0.592E-03
DAV: 20 -0.864348809791E+02 -0.11746E-03 -0.14816E-05 453 0.181E-02 0.200E-03
DAV: 21 -0.864349209970E+02 -0.40018E-04 -0.57143E-06 461 0.891E-03 0.115E-03
DAV: 22 -0.864349367775E+02 -0.15780E-04 -0.22646E-06 434 0.568E-03 0.465E-04
DAV: 23 -0.864349402566E+02 -0.34791E-05 -0.93899E-07 490 0.342E-03
1 F= -.86434940E+02 E0= -.86438827E+02 d E =0.116594E-01