iterations/neb0_image06_iter84_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 0.375883128272E+03 0.37588E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.367159484618E+01 -0.37221E+03 -0.35995E+03 877 0.195E+02
DAV: 3 -0.955723895997E+02 -0.99244E+02 -0.98922E+02 648 0.117E+02
DAV: 4 -0.100192073450E+03 -0.46197E+01 -0.46084E+01 712 0.293E+01
DAV: 5 -0.100286326264E+03 -0.94253E-01 -0.94217E-01 736 0.373E+00 0.227E+01
DAV: 6 -0.916307239794E+02 0.86556E+01 -0.30927E+01 682 0.307E+01 0.118E+01
DAV: 7 -0.907928475367E+02 0.83788E+00 -0.17138E+00 720 0.628E+00 0.481E+00
DAV: 8 -0.904098207338E+02 0.38303E+00 -0.52424E-01 712 0.401E+00 0.167E+00
DAV: 9 -0.903177376157E+02 0.92083E-01 -0.13270E-01 720 0.161E+00 0.423E-01
DAV: 10 -0.903078727154E+02 0.98649E-02 -0.43654E-02 728 0.107E+00 0.304E-01
DAV: 11 -0.903124899425E+02 -0.46172E-02 -0.12722E-02 615 0.648E-01 0.167E-01
DAV: 12 -0.903142576331E+02 -0.17677E-02 -0.22739E-03 664 0.257E-01 0.119E-01
DAV: 13 -0.903190533252E+02 -0.47957E-02 -0.36165E-03 654 0.384E-01 0.744E-02
DAV: 14 -0.903204724123E+02 -0.14191E-02 -0.52095E-04 728 0.161E-01 0.534E-02
DAV: 15 -0.903235294616E+02 -0.30570E-02 -0.89173E-04 620 0.166E-01 0.414E-02
DAV: 16 -0.903248990894E+02 -0.13696E-02 -0.22274E-04 688 0.753E-02 0.317E-02
DAV: 17 -0.903257439945E+02 -0.84491E-03 -0.17122E-04 759 0.902E-02 0.133E-02
DAV: 18 -0.903262748702E+02 -0.53088E-03 -0.11084E-04 669 0.588E-02 0.152E-02
DAV: 19 -0.903264417867E+02 -0.16692E-03 -0.12661E-05 480 0.201E-02 0.130E-02
DAV: 20 -0.903265267454E+02 -0.84959E-04 -0.24179E-05 527 0.321E-02 0.499E-03
DAV: 21 -0.903265809631E+02 -0.54218E-04 -0.83968E-06 442 0.149E-02 0.327E-03
DAV: 22 -0.903266000470E+02 -0.19084E-04 -0.39945E-06 469 0.120E-02 0.435E-03
DAV: 23 -0.903266088257E+02 -0.87787E-05 -0.19116E-06 411 0.101E-02
1 F= -.90326609E+02 E0= -.90331917E+02 d E =0.159233E-01