iterations/neb0_image01_iter46_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 0.366987005779E+03 0.36699E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.349503717025E+01 -0.36349E+03 -0.35009E+03 839 0.195E+02
DAV: 3 -0.956454927799E+02 -0.99141E+02 -0.98798E+02 672 0.116E+02
DAV: 4 -0.100218995847E+03 -0.45735E+01 -0.45639E+01 685 0.287E+01
DAV: 5 -0.100310203964E+03 -0.91208E-01 -0.91155E-01 736 0.362E+00 0.223E+01
DAV: 6 -0.916773750037E+02 0.86328E+01 -0.31107E+01 704 0.299E+01 0.117E+01
DAV: 7 -0.908582018654E+02 0.81917E+00 -0.18367E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904758902762E+02 0.38231E+00 -0.55816E-01 704 0.428E+00 0.168E+00
DAV: 9 -0.903895682041E+02 0.86322E-01 -0.13823E-01 696 0.166E+00 0.430E-01
DAV: 10 -0.903837562081E+02 0.58120E-02 -0.45533E-02 744 0.126E+00 0.316E-01
DAV: 11 -0.903875003794E+02 -0.37442E-02 -0.68163E-03 616 0.478E-01 0.146E-01
DAV: 12 -0.903909114393E+02 -0.34111E-02 -0.66717E-03 613 0.473E-01 0.123E-01
DAV: 13 -0.903937394630E+02 -0.28280E-02 -0.11555E-03 784 0.289E-01 0.782E-02
DAV: 14 -0.903967449051E+02 -0.30054E-02 -0.17185E-03 637 0.201E-01 0.622E-02
DAV: 15 -0.903988976756E+02 -0.21528E-02 -0.44808E-04 768 0.147E-01 0.411E-02
DAV: 16 -0.904000520769E+02 -0.11544E-02 -0.56338E-04 669 0.133E-01 0.347E-02
DAV: 17 -0.904010050700E+02 -0.95299E-03 -0.16928E-04 730 0.848E-02 0.230E-02
DAV: 18 -0.904011880312E+02 -0.18296E-03 -0.51868E-05 704 0.371E-02 0.140E-02
DAV: 19 -0.904014549757E+02 -0.26694E-03 -0.51523E-05 627 0.363E-02 0.368E-03
DAV: 20 -0.904015079045E+02 -0.52929E-04 -0.42456E-06 480 0.112E-02 0.406E-03
DAV: 21 -0.904015532654E+02 -0.45361E-04 -0.48586E-06 414 0.102E-02 0.297E-03
DAV: 22 -0.904015716678E+02 -0.18402E-04 -0.33789E-06 477 0.802E-03 0.178E-03
DAV: 23 -0.904015741986E+02 -0.25307E-05 -0.13294E-06 504 0.682E-03
1 F= -.90401574E+02 E0= -.90406680E+02 d E =0.153186E-01