iterations/neb0_image06_iter159_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 0.370991518507E+03 0.37099E+03 -0.14342E+04 640 0.799E+02
DAV: 2 0.366949114617E+01 -0.36732E+03 -0.35569E+03 877 0.193E+02
DAV: 3 -0.960488995157E+02 -0.99718E+02 -0.99387E+02 690 0.116E+02
DAV: 4 -0.100520265365E+03 -0.44714E+01 -0.44588E+01 704 0.277E+01
DAV: 5 -0.100607512974E+03 -0.87248E-01 -0.87200E-01 728 0.347E+00 0.226E+01
DAV: 6 -0.919955482252E+02 0.86120E+01 -0.30889E+01 714 0.305E+01 0.118E+01
DAV: 7 -0.911723169941E+02 0.82323E+00 -0.17417E+00 712 0.632E+00 0.481E+00
DAV: 8 -0.907937400383E+02 0.37858E+00 -0.53407E-01 728 0.401E+00 0.170E+00
DAV: 9 -0.907010254478E+02 0.92715E-01 -0.13396E-01 720 0.160E+00 0.425E-01
DAV: 10 -0.906907452088E+02 0.10280E-01 -0.34508E-02 768 0.930E-01 0.278E-01
DAV: 11 -0.906944945410E+02 -0.37493E-02 -0.83850E-03 602 0.474E-01 0.138E-01
DAV: 12 -0.906972930485E+02 -0.27985E-02 -0.18708E-03 645 0.253E-01 0.839E-02
DAV: 13 -0.907013934050E+02 -0.41004E-02 -0.16333E-03 625 0.187E-01 0.668E-02
DAV: 14 -0.907050123910E+02 -0.36190E-02 -0.13116E-03 741 0.263E-01 0.464E-02
DAV: 15 -0.907065723689E+02 -0.15600E-02 -0.30808E-04 720 0.105E-01 0.437E-02
DAV: 16 -0.907079160724E+02 -0.13437E-02 -0.47628E-04 738 0.137E-01 0.234E-02
DAV: 17 -0.907086935828E+02 -0.77751E-03 -0.13713E-04 706 0.642E-02 0.152E-02
DAV: 18 -0.907089861172E+02 -0.29253E-03 -0.31438E-05 624 0.257E-02 0.999E-03
DAV: 19 -0.907091465502E+02 -0.16043E-03 -0.27999E-05 489 0.292E-02 0.328E-03
DAV: 20 -0.907091718614E+02 -0.25311E-04 -0.49414E-06 528 0.129E-02 0.302E-03
DAV: 21 -0.907091999993E+02 -0.28138E-04 -0.41439E-06 398 0.874E-03 0.240E-03
DAV: 22 -0.907092035771E+02 -0.35778E-05 -0.71423E-07 512 0.576E-03
1 F= -.90709204E+02 E0= -.90714009E+02 d E =0.144177E-01