./iterations/neb0_image01_iter110_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 0.366272768838E+03 0.36627E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.337598716755E+01 -0.36290E+03 -0.34958E+03 839 0.195E+02
DAV: 3 -0.956793812837E+02 -0.99055E+02 -0.98710E+02 677 0.116E+02
DAV: 4 -0.100191124405E+03 -0.45117E+01 -0.45021E+01 693 0.282E+01
DAV: 5 -0.100281441895E+03 -0.90317E-01 -0.90265E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916773661352E+02 0.86041E+01 -0.31104E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908707977483E+02 0.80657E+00 -0.18186E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904917881283E+02 0.37901E+00 -0.55671E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904076064179E+02 0.84182E-01 -0.13482E-01 704 0.164E+00 0.426E-01
DAV: 10 -0.904023927617E+02 0.52137E-02 -0.45741E-02 728 0.124E+00 0.316E-01
DAV: 11 -0.904063366689E+02 -0.39439E-02 -0.67749E-03 608 0.489E-01 0.136E-01
DAV: 12 -0.904098941310E+02 -0.35575E-02 -0.67840E-03 629 0.472E-01 0.128E-01
DAV: 13 -0.904125160993E+02 -0.26220E-02 -0.14427E-03 848 0.309E-01 0.750E-02
DAV: 14 -0.904155104972E+02 -0.29944E-02 -0.14076E-03 634 0.178E-01 0.597E-02
DAV: 15 -0.904175049495E+02 -0.19945E-02 -0.37127E-04 696 0.119E-01 0.462E-02
DAV: 16 -0.904188551476E+02 -0.13502E-02 -0.81574E-04 653 0.167E-01 0.369E-02
DAV: 17 -0.904196613304E+02 -0.80618E-03 -0.18294E-04 845 0.960E-02 0.222E-02
DAV: 18 -0.904198011232E+02 -0.13979E-03 -0.39751E-05 704 0.323E-02 0.144E-02
DAV: 19 -0.904200563673E+02 -0.25524E-03 -0.67909E-05 633 0.430E-02 0.627E-03
DAV: 20 -0.904200773459E+02 -0.20979E-04 -0.54254E-06 496 0.145E-02 0.619E-03
DAV: 21 -0.904201153381E+02 -0.37992E-04 -0.68521E-06 409 0.164E-02 0.450E-03
DAV: 22 -0.904201351215E+02 -0.19783E-04 -0.35219E-06 477 0.105E-02 0.320E-03
DAV: 23 -0.904201375258E+02 -0.24042E-05 -0.29208E-06 528 0.971E-03
1 F= -.90420138E+02 E0= -.90425242E+02 d E =0.153130E-01