iterations/neb0_image08_iter59_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 0.375997144005E+03 0.37600E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.376858362859E+01 -0.37223E+03 -0.35855E+03 869 0.196E+02
DAV: 3 -0.967520126731E+02 -0.10052E+03 -0.10019E+03 688 0.117E+02
DAV: 4 -0.101094467265E+03 -0.43425E+01 -0.43325E+01 704 0.275E+01
DAV: 5 -0.101179299679E+03 -0.84832E-01 -0.84797E-01 736 0.346E+00 0.227E+01
DAV: 6 -0.925610347288E+02 0.86183E+01 -0.30825E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.916903169295E+02 0.87072E+00 -0.16784E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.913103640236E+02 0.37995E+00 -0.56067E-01 704 0.404E+00 0.163E+00
DAV: 9 -0.912267512058E+02 0.83613E-01 -0.12885E-01 712 0.154E+00 0.427E-01
DAV: 10 -0.912171690799E+02 0.95821E-02 -0.47779E-02 736 0.112E+00 0.310E-01
DAV: 11 -0.912220748276E+02 -0.49057E-02 -0.15064E-02 616 0.631E-01 0.167E-01
DAV: 12 -0.912248867409E+02 -0.28119E-02 -0.32512E-03 636 0.244E-01 0.133E-01
DAV: 13 -0.912289961531E+02 -0.41094E-02 -0.26553E-03 717 0.292E-01 0.537E-02
DAV: 14 -0.912318778612E+02 -0.28817E-02 -0.46073E-04 664 0.108E-01 0.411E-02
DAV: 15 -0.912341457405E+02 -0.22679E-02 -0.21954E-04 653 0.621E-02 0.290E-02
DAV: 16 -0.912351448127E+02 -0.99907E-03 -0.31349E-04 677 0.848E-02 0.255E-02
DAV: 17 -0.912354236751E+02 -0.27886E-03 -0.49726E-05 600 0.445E-02 0.120E-02
DAV: 18 -0.912356258959E+02 -0.20222E-03 -0.38217E-05 573 0.261E-02 0.618E-03
DAV: 19 -0.912356563924E+02 -0.30497E-04 -0.45466E-06 528 0.160E-02 0.290E-03
DAV: 20 -0.912356997364E+02 -0.43344E-04 -0.76986E-06 392 0.151E-02 0.408E-03
DAV: 21 -0.912357108796E+02 -0.11143E-04 -0.16512E-06 469 0.863E-03 0.266E-03
DAV: 22 -0.912357147530E+02 -0.38734E-05 -0.31823E-06 442 0.109E-02
1 F= -.91235715E+02 E0= -.91240466E+02 d E =0.142542E-01