iterations/neb0_image02_iter148_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 0.363555513055E+03 0.36356E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.275928859157E+01 -0.36080E+03 -0.34775E+03 845 0.195E+02
DAV: 3 -0.955396954387E+02 -0.98299E+02 -0.97961E+02 656 0.116E+02
DAV: 4 -0.100196140312E+03 -0.46564E+01 -0.46447E+01 728 0.291E+01
DAV: 5 -0.100286958015E+03 -0.90818E-01 -0.90784E-01 744 0.366E+00 0.222E+01
DAV: 6 -0.916638038930E+02 0.86232E+01 -0.30990E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908553520408E+02 0.80845E+00 -0.18533E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.904740387015E+02 0.38131E+00 -0.55767E-01 704 0.431E+00 0.169E+00
DAV: 9 -0.903861103050E+02 0.87928E-01 -0.13736E-01 696 0.168E+00 0.431E-01
DAV: 10 -0.903801599783E+02 0.59503E-02 -0.50190E-02 704 0.129E+00 0.330E-01
DAV: 11 -0.903837423419E+02 -0.35824E-02 -0.78503E-03 616 0.553E-01 0.132E-01
DAV: 12 -0.903870199013E+02 -0.32776E-02 -0.76800E-03 640 0.463E-01 0.140E-01
DAV: 13 -0.903894184735E+02 -0.23986E-02 -0.20403E-03 893 0.362E-01 0.822E-02
DAV: 14 -0.903926775647E+02 -0.32591E-02 -0.14991E-03 634 0.184E-01 0.696E-02
DAV: 15 -0.903946401274E+02 -0.19626E-02 -0.34762E-04 680 0.107E-01 0.544E-02
DAV: 16 -0.903961320077E+02 -0.14919E-02 -0.10493E-03 664 0.192E-01 0.386E-02
DAV: 17 -0.903969357810E+02 -0.80377E-03 -0.16151E-04 696 0.862E-02 0.288E-02
DAV: 18 -0.903971883335E+02 -0.25255E-03 -0.72565E-05 688 0.404E-02 0.137E-02
DAV: 19 -0.903973891878E+02 -0.20085E-03 -0.64340E-05 623 0.422E-02 0.779E-03
DAV: 20 -0.903974084253E+02 -0.19237E-04 -0.68489E-06 496 0.198E-02 0.737E-03
DAV: 21 -0.903974352862E+02 -0.26861E-04 -0.66517E-06 442 0.150E-02 0.641E-03
DAV: 22 -0.903974604386E+02 -0.25152E-04 -0.49304E-06 455 0.166E-02 0.296E-03
DAV: 23 -0.903974638670E+02 -0.34285E-05 -0.68059E-06 504 0.143E-02
1 F= -.90397464E+02 E0= -.90403280E+02 d E =0.174477E-01