./iterations/neb0_image08_iter199_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 0.373414672307E+03 0.37341E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.347914909347E+01 -0.36994E+03 -0.35756E+03 869 0.196E+02
DAV: 3 -0.966936581632E+02 -0.10017E+03 -0.99867E+02 669 0.116E+02
DAV: 4 -0.101236408784E+03 -0.45428E+01 -0.45300E+01 720 0.287E+01
DAV: 5 -0.101325011683E+03 -0.88603E-01 -0.88547E-01 712 0.363E+00 0.227E+01
DAV: 6 -0.926454727550E+02 0.86795E+01 -0.31082E+01 720 0.302E+01 0.119E+01
DAV: 7 -0.917885907136E+02 0.85688E+00 -0.17376E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.914147599744E+02 0.37383E+00 -0.53625E-01 720 0.393E+00 0.163E+00
DAV: 9 -0.913335247196E+02 0.81235E-01 -0.13260E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913255237982E+02 0.80009E-02 -0.45029E-02 744 0.108E+00 0.302E-01
DAV: 11 -0.913304249456E+02 -0.49011E-02 -0.14165E-02 616 0.619E-01 0.153E-01
DAV: 12 -0.913332550689E+02 -0.28301E-02 -0.28169E-03 628 0.237E-01 0.109E-01
DAV: 13 -0.913368745322E+02 -0.36195E-02 -0.22747E-03 634 0.249E-01 0.507E-02
DAV: 14 -0.913402056961E+02 -0.33312E-02 -0.89752E-04 677 0.183E-01 0.321E-02
DAV: 15 -0.913413473010E+02 -0.11416E-02 -0.20145E-04 680 0.842E-02 0.246E-02
DAV: 16 -0.913422579610E+02 -0.91066E-03 -0.16074E-04 661 0.777E-02 0.109E-02
DAV: 17 -0.913429200941E+02 -0.66213E-03 -0.60431E-05 656 0.355E-02 0.132E-02
DAV: 18 -0.913431367035E+02 -0.21661E-03 -0.23934E-05 560 0.263E-02 0.675E-03
DAV: 19 -0.913432577592E+02 -0.12106E-03 -0.27159E-05 541 0.260E-02 0.548E-03
DAV: 20 -0.913432698865E+02 -0.12127E-04 -0.20639E-06 528 0.122E-02 0.308E-03
DAV: 21 -0.913432875142E+02 -0.17628E-04 -0.80603E-06 404 0.172E-02 0.334E-03
DAV: 22 -0.913432894563E+02 -0.19421E-05 -0.11934E-06 504 0.100E-02
1 F= -.91343289E+02 E0= -.91348214E+02 d E =0.147751E-01