iterations/neb0_image03_iter246_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 0.363273252125E+03 0.36327E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.968705154917E+00 -0.36230E+03 -0.35201E+03 842 0.195E+02
DAV: 3 -0.960999469038E+02 -0.97069E+02 -0.96760E+02 680 0.115E+02
DAV: 4 -0.100309414314E+03 -0.42095E+01 -0.41991E+01 712 0.273E+01
DAV: 5 -0.100391214033E+03 -0.81800E-01 -0.81774E-01 736 0.341E+00 0.222E+01
DAV: 6 -0.917171427443E+02 0.86741E+01 -0.31379E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908797580081E+02 0.83738E+00 -0.17973E+00 720 0.632E+00 0.484E+00
DAV: 8 -0.904877489349E+02 0.39201E+00 -0.55675E-01 704 0.426E+00 0.169E+00
DAV: 9 -0.903957817264E+02 0.91967E-01 -0.13222E-01 712 0.168E+00 0.436E-01
DAV: 10 -0.903892184410E+02 0.65633E-02 -0.49489E-02 712 0.122E+00 0.339E-01
DAV: 11 -0.903940026051E+02 -0.47842E-02 -0.10297E-02 688 0.685E-01 0.121E-01
DAV: 12 -0.903967558773E+02 -0.27533E-02 -0.47696E-03 624 0.317E-01 0.121E-01
DAV: 13 -0.904008991858E+02 -0.41433E-02 -0.19959E-03 858 0.316E-01 0.857E-02
DAV: 14 -0.904039592996E+02 -0.30601E-02 -0.10523E-03 672 0.149E-01 0.555E-02
DAV: 15 -0.904060673281E+02 -0.21080E-02 -0.35505E-04 661 0.946E-02 0.291E-02
DAV: 16 -0.904075164528E+02 -0.14491E-02 -0.29657E-04 672 0.857E-02 0.207E-02
DAV: 17 -0.904083340716E+02 -0.81762E-03 -0.11501E-04 647 0.571E-02 0.981E-03
DAV: 18 -0.904085961285E+02 -0.26206E-03 -0.58265E-05 608 0.360E-02 0.100E-02
DAV: 19 -0.904086317313E+02 -0.35603E-04 -0.51856E-06 520 0.175E-02 0.456E-03
DAV: 20 -0.904087001404E+02 -0.68409E-04 -0.23984E-05 530 0.259E-02 0.668E-03
DAV: 21 -0.904087178528E+02 -0.17712E-04 -0.38576E-06 480 0.148E-02 0.299E-03
DAV: 22 -0.904087227313E+02 -0.48785E-05 -0.26180E-06 520 0.838E-03
1 F= -.90408723E+02 E0= -.90416006E+02 d E =0.218487E-01