iterations/neb0_image09_iter58_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 0.374632788471E+03 0.37463E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.251139931047E+01 -0.37212E+03 -0.35976E+03 877 0.196E+02
DAV: 3 -0.969579489762E+02 -0.99469E+02 -0.99136E+02 680 0.117E+02
DAV: 4 -0.101247627763E+03 -0.42897E+01 -0.42809E+01 696 0.277E+01
DAV: 5 -0.101331289012E+03 -0.83661E-01 -0.83624E-01 736 0.349E+00 0.227E+01
DAV: 6 -0.926703998328E+02 0.86609E+01 -0.30917E+01 709 0.300E+01 0.119E+01
DAV: 7 -0.917987375913E+02 0.87166E+00 -0.17172E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914200974240E+02 0.37864E+00 -0.54501E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913377833980E+02 0.82314E-01 -0.13162E-01 701 0.155E+00 0.425E-01
DAV: 10 -0.913289353839E+02 0.88480E-02 -0.47750E-02 784 0.115E+00 0.309E-01
DAV: 11 -0.913335213455E+02 -0.45860E-02 -0.14571E-02 610 0.632E-01 0.152E-01
DAV: 12 -0.913363104437E+02 -0.27891E-02 -0.30832E-03 631 0.243E-01 0.120E-01
DAV: 13 -0.913402928849E+02 -0.39824E-02 -0.21729E-03 704 0.252E-01 0.467E-02
DAV: 14 -0.913436020703E+02 -0.33092E-02 -0.52875E-04 661 0.125E-01 0.301E-02
DAV: 15 -0.913452333310E+02 -0.16313E-02 -0.14996E-04 672 0.660E-02 0.318E-02
DAV: 16 -0.913463945046E+02 -0.11612E-02 -0.29626E-04 658 0.881E-02 0.189E-02
DAV: 17 -0.913466328568E+02 -0.23835E-03 -0.33281E-05 632 0.429E-02 0.134E-02
DAV: 18 -0.913468616969E+02 -0.22884E-03 -0.51809E-05 634 0.377E-02 0.101E-02
DAV: 19 -0.913469593490E+02 -0.97652E-04 -0.10069E-05 472 0.247E-02 0.477E-03
DAV: 20 -0.913469975339E+02 -0.38185E-04 -0.14069E-05 453 0.202E-02 0.320E-03
DAV: 21 -0.913470180185E+02 -0.20485E-04 -0.29731E-06 431 0.813E-03 0.275E-03
DAV: 22 -0.913470220710E+02 -0.40525E-05 -0.10943E-06 472 0.707E-03
1 F= -.91347022E+02 E0= -.91351736E+02 d E =0.141431E-01