iterations/neb0_image06_iter20_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 0.362551418268E+03 0.36255E+03 -0.14241E+04 632 0.799E+02
DAV: 2 0.313666710563E+01 -0.35941E+03 -0.34658E+03 877 0.193E+02
DAV: 3 -0.940185942539E+02 -0.97155E+02 -0.96654E+02 672 0.114E+02
DAV: 4 -0.985966883974E+02 -0.45781E+01 -0.45621E+01 712 0.279E+01
DAV: 5 -0.986929994885E+02 -0.96311E-01 -0.96277E-01 744 0.358E+00 0.218E+01
DAV: 6 -0.899473004504E+02 0.87457E+01 -0.32150E+01 680 0.309E+01 0.113E+01
DAV: 7 -0.891311090185E+02 0.81619E+00 -0.16559E+00 720 0.705E+00 0.488E+00
DAV: 8 -0.887365449559E+02 0.39456E+00 -0.72227E-01 720 0.473E+00 0.169E+00
DAV: 9 -0.886498060550E+02 0.86739E-01 -0.14354E-01 720 0.193E+00 0.538E-01
DAV: 10 -0.886380847518E+02 0.11721E-01 -0.23443E-02 792 0.767E-01 0.287E-01
DAV: 11 -0.886387457945E+02 -0.66104E-03 -0.12058E-02 616 0.693E-01 0.166E-01
DAV: 12 -0.886411159035E+02 -0.23701E-02 -0.37278E-03 696 0.418E-01 0.108E-01
DAV: 13 -0.886452076819E+02 -0.40918E-02 -0.29084E-03 628 0.283E-01 0.101E-01
DAV: 14 -0.886482254266E+02 -0.30177E-02 -0.11457E-03 650 0.191E-01 0.441E-02
DAV: 15 -0.886511559925E+02 -0.29306E-02 -0.87051E-04 680 0.178E-01 0.448E-02
DAV: 16 -0.886525719589E+02 -0.14160E-02 -0.26332E-04 688 0.105E-01 0.343E-02
DAV: 17 -0.886534980072E+02 -0.92605E-03 -0.33701E-04 741 0.120E-01 0.247E-02
DAV: 18 -0.886540074977E+02 -0.50949E-03 -0.13777E-04 725 0.736E-02 0.188E-02
DAV: 19 -0.886541916002E+02 -0.18410E-03 -0.41117E-05 669 0.404E-02 0.909E-03
DAV: 20 -0.886543301278E+02 -0.13853E-03 -0.33198E-05 546 0.312E-02 0.578E-03
DAV: 21 -0.886543792115E+02 -0.49084E-04 -0.39616E-06 485 0.152E-02 0.332E-03
DAV: 22 -0.886544138276E+02 -0.34616E-04 -0.87215E-06 407 0.157E-02 0.247E-03
DAV: 23 -0.886544192970E+02 -0.54694E-05 -0.12564E-06 512 0.722E-03
1 F= -.88654419E+02 E0= -.88658307E+02 d E =0.116627E-01