iterations/neb0_image03_iter286_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 0.363378571805E+03 0.36338E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.112130135347E+01 -0.36226E+03 -0.34975E+03 853 0.195E+02
DAV: 3 -0.960327368914E+02 -0.97154E+02 -0.96846E+02 669 0.115E+02
DAV: 4 -0.100312079235E+03 -0.42793E+01 -0.42701E+01 704 0.278E+01
DAV: 5 -0.100394654602E+03 -0.82575E-01 -0.82554E-01 736 0.347E+00 0.223E+01
DAV: 6 -0.916959922567E+02 0.86987E+01 -0.31507E+01 677 0.301E+01 0.117E+01
DAV: 7 -0.908628778044E+02 0.83311E+00 -0.17921E+00 712 0.630E+00 0.484E+00
DAV: 8 -0.904745976056E+02 0.38828E+00 -0.55132E-01 696 0.422E+00 0.170E+00
DAV: 9 -0.903848206174E+02 0.89777E-01 -0.13333E-01 720 0.170E+00 0.434E-01
DAV: 10 -0.903786556604E+02 0.61650E-02 -0.44869E-02 720 0.115E+00 0.326E-01
DAV: 11 -0.903829024618E+02 -0.42468E-02 -0.71783E-03 632 0.635E-01 0.116E-01
DAV: 12 -0.903858951226E+02 -0.29927E-02 -0.46452E-03 632 0.327E-01 0.112E-01
DAV: 13 -0.903900832773E+02 -0.41882E-02 -0.14282E-03 759 0.244E-01 0.805E-02
DAV: 14 -0.903935700365E+02 -0.34868E-02 -0.13122E-03 645 0.162E-01 0.532E-02
DAV: 15 -0.903954393004E+02 -0.18693E-02 -0.25211E-04 704 0.948E-02 0.223E-02
DAV: 16 -0.903970282350E+02 -0.15889E-02 -0.36826E-04 655 0.102E-01 0.297E-02
DAV: 17 -0.903973162985E+02 -0.28806E-03 -0.71964E-05 768 0.639E-02 0.158E-02
DAV: 18 -0.903976656832E+02 -0.34938E-03 -0.76621E-05 622 0.453E-02 0.919E-03
DAV: 19 -0.903978549597E+02 -0.18928E-03 -0.17913E-05 514 0.227E-02 0.643E-03
DAV: 20 -0.903979358953E+02 -0.80936E-04 -0.15234E-05 488 0.222E-02 0.226E-03
DAV: 21 -0.903979814968E+02 -0.45602E-04 -0.71363E-06 431 0.120E-02 0.205E-03
DAV: 22 -0.903979880020E+02 -0.65052E-05 -0.16602E-06 512 0.664E-03
1 F= -.90397988E+02 E0= -.90406360E+02 d E =0.251163E-01