iterations/neb0_image04_iter146_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 0.364847566228E+03 0.36485E+03 -0.14355E+04 640 0.799E+02
DAV: 2 0.134999223387E+01 -0.36350E+03 -0.35071E+03 874 0.194E+02
DAV: 3 -0.956264516791E+02 -0.96976E+02 -0.96650E+02 653 0.115E+02
DAV: 4 -0.100104249178E+03 -0.44778E+01 -0.44661E+01 720 0.287E+01
DAV: 5 -0.100191047582E+03 -0.86798E-01 -0.86765E-01 736 0.362E+00 0.223E+01
DAV: 6 -0.915294489725E+02 0.86616E+01 -0.30621E+01 680 0.297E+01 0.116E+01
DAV: 7 -0.906751731057E+02 0.85428E+00 -0.18181E+00 704 0.631E+00 0.483E+00
DAV: 8 -0.902719594105E+02 0.40321E+00 -0.55978E-01 704 0.426E+00 0.164E+00
DAV: 9 -0.901767581356E+02 0.95201E-01 -0.13303E-01 720 0.170E+00 0.434E-01
DAV: 10 -0.901677292342E+02 0.90289E-02 -0.47589E-02 704 0.113E+00 0.339E-01
DAV: 11 -0.901735078875E+02 -0.57787E-02 -0.13750E-02 672 0.779E-01 0.185E-01
DAV: 12 -0.901742332481E+02 -0.72536E-03 -0.34122E-03 656 0.347E-01 0.135E-01
DAV: 13 -0.901775052530E+02 -0.32720E-02 -0.31921E-03 623 0.314E-01 0.774E-02
DAV: 14 -0.901817234425E+02 -0.42182E-02 -0.93581E-04 642 0.146E-01 0.486E-02
DAV: 15 -0.901840624955E+02 -0.23391E-02 -0.32657E-04 680 0.967E-02 0.250E-02
DAV: 16 -0.901859688442E+02 -0.19063E-02 -0.29406E-04 657 0.899E-02 0.238E-02
DAV: 17 -0.901867476398E+02 -0.77880E-03 -0.81629E-05 709 0.574E-02 0.106E-02
DAV: 18 -0.901871224526E+02 -0.37481E-03 -0.60013E-05 647 0.382E-02 0.796E-03
DAV: 19 -0.901872630264E+02 -0.14057E-03 -0.11495E-05 471 0.232E-02 0.429E-03
DAV: 20 -0.901873763978E+02 -0.11337E-03 -0.19009E-05 490 0.178E-02 0.281E-03
DAV: 21 -0.901874065982E+02 -0.30200E-04 -0.31562E-06 496 0.119E-02 0.139E-03
DAV: 22 -0.901874140709E+02 -0.74727E-05 -0.21584E-06 488 0.747E-03
1 F= -.90187414E+02 E0= -.90196582E+02 d E =0.275034E-01