iterations/neb0_image04_iter158_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 0.364007182596E+03 0.36401E+03 -0.14355E+04 640 0.799E+02
DAV: 2 0.933819255181E+00 -0.36307E+03 -0.35022E+03 874 0.194E+02
DAV: 3 -0.958309568759E+02 -0.96765E+02 -0.96444E+02 658 0.115E+02
DAV: 4 -0.100149158831E+03 -0.43182E+01 -0.43084E+01 712 0.281E+01
DAV: 5 -0.100230822776E+03 -0.81664E-01 -0.81633E-01 736 0.352E+00 0.223E+01
DAV: 6 -0.915514732276E+02 0.86793E+01 -0.30837E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.907016065601E+02 0.84987E+00 -0.17920E+00 712 0.627E+00 0.482E+00
DAV: 8 -0.903002382446E+02 0.40137E+00 -0.54575E-01 704 0.417E+00 0.165E+00
DAV: 9 -0.902031399667E+02 0.97098E-01 -0.13536E-01 720 0.163E+00 0.434E-01
DAV: 10 -0.901941488731E+02 0.89911E-02 -0.43989E-02 704 0.110E+00 0.329E-01
DAV: 11 -0.901981055608E+02 -0.39567E-02 -0.64457E-03 624 0.546E-01 0.118E-01
DAV: 12 -0.902015869900E+02 -0.34814E-02 -0.56389E-03 636 0.360E-01 0.148E-01
DAV: 13 -0.902043172482E+02 -0.27303E-02 -0.26240E-03 768 0.367E-01 0.710E-02
DAV: 14 -0.902084338874E+02 -0.41166E-02 -0.12636E-03 633 0.164E-01 0.608E-02
DAV: 15 -0.902106671594E+02 -0.22333E-02 -0.27147E-04 680 0.104E-01 0.330E-02
DAV: 16 -0.902125763519E+02 -0.19092E-02 -0.46294E-04 679 0.114E-01 0.286E-02
DAV: 17 -0.902133183408E+02 -0.74199E-03 -0.11624E-04 888 0.811E-02 0.171E-02
DAV: 18 -0.902136702676E+02 -0.35193E-03 -0.49791E-05 658 0.347E-02 0.114E-02
DAV: 19 -0.902138927318E+02 -0.22246E-03 -0.27820E-05 541 0.243E-02 0.365E-03
DAV: 20 -0.902140068876E+02 -0.11416E-03 -0.14264E-05 439 0.183E-02 0.357E-03
DAV: 21 -0.902140521901E+02 -0.45303E-04 -0.69454E-06 472 0.103E-02 0.202E-03
DAV: 22 -0.902140597271E+02 -0.75370E-05 -0.21494E-06 512 0.723E-03
1 F= -.90214060E+02 E0= -.90223048E+02 d E =0.269656E-01