./iterations/neb0_image03_iter25_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 0.365189632416E+03 0.36519E+03 -0.14303E+04 632 0.799E+02
DAV: 2 0.388961083755E+01 -0.36130E+03 -0.34803E+03 842 0.194E+02
DAV: 3 -0.953239077443E+02 -0.99214E+02 -0.98880E+02 693 0.116E+02
DAV: 4 -0.996716346557E+02 -0.43477E+01 -0.43366E+01 712 0.273E+01
DAV: 5 -0.997564295323E+02 -0.84795E-01 -0.84743E-01 736 0.341E+00 0.220E+01
DAV: 6 -0.911990151826E+02 0.85574E+01 -0.30636E+01 688 0.297E+01 0.115E+01
DAV: 7 -0.903616628554E+02 0.83735E+00 -0.17601E+00 728 0.637E+00 0.482E+00
DAV: 8 -0.899557215820E+02 0.40594E+00 -0.61678E-01 712 0.453E+00 0.162E+00
DAV: 9 -0.898658807024E+02 0.89841E-01 -0.13375E-01 720 0.168E+00 0.444E-01
DAV: 10 -0.898571244672E+02 0.87562E-02 -0.48860E-02 736 0.124E+00 0.334E-01
DAV: 11 -0.898608211496E+02 -0.36967E-02 -0.84462E-03 608 0.524E-01 0.127E-01
DAV: 12 -0.898640235372E+02 -0.32024E-02 -0.58366E-03 639 0.365E-01 0.133E-01
DAV: 13 -0.898666557990E+02 -0.26323E-02 -0.16851E-03 856 0.354E-01 0.768E-02
DAV: 14 -0.898702995856E+02 -0.36438E-02 -0.14709E-03 642 0.197E-01 0.597E-02
DAV: 15 -0.898727288105E+02 -0.24292E-02 -0.34882E-04 741 0.107E-01 0.428E-02
DAV: 16 -0.898740476226E+02 -0.13188E-02 -0.50249E-04 677 0.122E-01 0.287E-02
DAV: 17 -0.898750440918E+02 -0.99647E-03 -0.18326E-04 855 0.908E-02 0.143E-02
DAV: 18 -0.898752655294E+02 -0.22144E-03 -0.33838E-05 608 0.322E-02 0.900E-03
DAV: 19 -0.898754341719E+02 -0.16864E-03 -0.30762E-05 554 0.250E-02 0.376E-03
DAV: 20 -0.898754537470E+02 -0.19575E-04 -0.18978E-06 512 0.960E-03 0.325E-03
DAV: 21 -0.898755068600E+02 -0.53113E-04 -0.88975E-06 401 0.150E-02 0.337E-03
DAV: 22 -0.898755113872E+02 -0.45272E-05 -0.14198E-06 493 0.857E-03
1 F= -.89875511E+02 E0= -.89880687E+02 d E =0.155270E-01