iterations/neb0_image03_iter285_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 0.363276052384E+03 0.36328E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.106396138625E+01 -0.36221E+03 -0.34973E+03 853 0.195E+02
DAV: 3 -0.960368810528E+02 -0.97101E+02 -0.96793E+02 669 0.115E+02
DAV: 4 -0.100310705080E+03 -0.42738E+01 -0.42646E+01 696 0.277E+01
DAV: 5 -0.100393596693E+03 -0.82892E-01 -0.82869E-01 736 0.347E+00 0.223E+01
DAV: 6 -0.917004898151E+02 0.86931E+01 -0.31454E+01 677 0.300E+01 0.117E+01
DAV: 7 -0.908653829265E+02 0.83511E+00 -0.17935E+00 712 0.631E+00 0.484E+00
DAV: 8 -0.904759667976E+02 0.38942E+00 -0.55443E-01 696 0.425E+00 0.169E+00
DAV: 9 -0.903863471890E+02 0.89620E-01 -0.13345E-01 720 0.170E+00 0.436E-01
DAV: 10 -0.903801138888E+02 0.62333E-02 -0.44242E-02 720 0.114E+00 0.326E-01
DAV: 11 -0.903842158002E+02 -0.41019E-02 -0.66128E-03 632 0.615E-01 0.116E-01
DAV: 12 -0.903873073153E+02 -0.30915E-02 -0.46760E-03 632 0.325E-01 0.111E-01
DAV: 13 -0.903915941280E+02 -0.42868E-02 -0.13718E-03 751 0.237E-01 0.800E-02
DAV: 14 -0.903950876395E+02 -0.34935E-02 -0.13250E-03 661 0.162E-01 0.526E-02
DAV: 15 -0.903970013175E+02 -0.19137E-02 -0.26662E-04 680 0.977E-02 0.210E-02
DAV: 16 -0.903985385693E+02 -0.15373E-02 -0.33494E-04 663 0.949E-02 0.288E-02
DAV: 17 -0.903988361540E+02 -0.29758E-03 -0.70590E-05 752 0.634E-02 0.148E-02
DAV: 18 -0.903992075158E+02 -0.37136E-03 -0.74678E-05 622 0.431E-02 0.886E-03
DAV: 19 -0.903993783709E+02 -0.17086E-03 -0.16077E-05 506 0.206E-02 0.655E-03
DAV: 20 -0.903994545621E+02 -0.76191E-04 -0.13941E-05 480 0.219E-02 0.228E-03
DAV: 21 -0.903994981959E+02 -0.43634E-04 -0.88032E-06 439 0.135E-02 0.317E-03
DAV: 22 -0.903995041003E+02 -0.59044E-05 -0.14824E-06 512 0.684E-03
1 F= -.90399504E+02 E0= -.90407906E+02 d E =0.252057E-01