./iterations/neb0_image05_iter266_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 0.367285296397E+03 0.36729E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.446543820299E+01 -0.36282E+03 -0.34919E+03 845 0.195E+02
DAV: 3 -0.953626383284E+02 -0.99828E+02 -0.99478E+02 653 0.117E+02
DAV: 4 -0.100157853910E+03 -0.47952E+01 -0.47840E+01 712 0.298E+01
DAV: 5 -0.100251583923E+03 -0.93730E-01 -0.93684E-01 736 0.375E+00 0.222E+01
DAV: 6 -0.916074694943E+02 0.86441E+01 -0.31133E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.907838561501E+02 0.82361E+00 -0.17645E+00 712 0.626E+00 0.483E+00
DAV: 8 -0.904054160530E+02 0.37844E+00 -0.55173E-01 728 0.429E+00 0.167E+00
DAV: 9 -0.903173590796E+02 0.88057E-01 -0.12756E-01 728 0.166E+00 0.436E-01
DAV: 10 -0.903085430630E+02 0.88160E-02 -0.42050E-02 728 0.115E+00 0.320E-01
DAV: 11 -0.903109978794E+02 -0.24548E-02 -0.47362E-03 608 0.440E-01 0.157E-01
DAV: 12 -0.903145341958E+02 -0.35363E-02 -0.90819E-03 616 0.522E-01 0.160E-01
DAV: 13 -0.903162761245E+02 -0.17419E-02 -0.16207E-03 792 0.279E-01 0.900E-02
DAV: 14 -0.903210178917E+02 -0.47418E-02 -0.27649E-03 677 0.298E-01 0.745E-02
DAV: 15 -0.903231431487E+02 -0.21253E-02 -0.34364E-04 720 0.112E-01 0.610E-02
DAV: 16 -0.903255925051E+02 -0.24494E-02 -0.10688E-03 655 0.196E-01 0.314E-02
DAV: 17 -0.903263951554E+02 -0.80265E-03 -0.14990E-04 704 0.769E-02 0.278E-02
DAV: 18 -0.903269449281E+02 -0.54977E-03 -0.10188E-04 644 0.530E-02 0.158E-02
DAV: 19 -0.903272062881E+02 -0.26136E-03 -0.59711E-05 680 0.406E-02 0.785E-03
DAV: 20 -0.903272948806E+02 -0.88592E-04 -0.72842E-06 490 0.164E-02 0.597E-03
DAV: 21 -0.903273441688E+02 -0.49288E-04 -0.12828E-05 406 0.198E-02 0.365E-03
DAV: 22 -0.903273516113E+02 -0.74425E-05 -0.34371E-06 522 0.122E-02
1 F= -.90327352E+02 E0= -.90335738E+02 d E =0.251592E-01