iterations/neb0_image03_iter299_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 0.366424534444E+03 0.36642E+03 -0.14290E+04 624 0.799E+02
DAV: 2 0.896494485386E+00 -0.36553E+03 -0.35348E+03 863 0.196E+02
DAV: 3 -0.959312571680E+02 -0.96828E+02 -0.96518E+02 656 0.115E+02
DAV: 4 -0.100287054699E+03 -0.43558E+01 -0.43465E+01 696 0.284E+01
DAV: 5 -0.100372041333E+03 -0.84987E-01 -0.84960E-01 752 0.357E+00 0.222E+01
DAV: 6 -0.916912794081E+02 0.86808E+01 -0.31467E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.908589030138E+02 0.83238E+00 -0.17972E+00 704 0.628E+00 0.484E+00
DAV: 8 -0.904707326246E+02 0.38817E+00 -0.55301E-01 696 0.428E+00 0.171E+00
DAV: 9 -0.903811145965E+02 0.89618E-01 -0.14243E-01 704 0.174E+00 0.449E-01
DAV: 10 -0.903749101311E+02 0.62045E-02 -0.42876E-02 712 0.122E+00 0.327E-01
DAV: 11 -0.903779503879E+02 -0.30403E-02 -0.54644E-03 632 0.546E-01 0.141E-01
DAV: 12 -0.903816187911E+02 -0.36684E-02 -0.61066E-03 616 0.389E-01 0.116E-01
DAV: 13 -0.903857118101E+02 -0.40930E-02 -0.11202E-03 853 0.257E-01 0.710E-02
DAV: 14 -0.903893121707E+02 -0.36004E-02 -0.12701E-03 648 0.156E-01 0.487E-02
DAV: 15 -0.903914946311E+02 -0.21825E-02 -0.29632E-04 720 0.103E-01 0.229E-02
DAV: 16 -0.903929438859E+02 -0.14493E-02 -0.35685E-04 647 0.100E-01 0.298E-02
DAV: 17 -0.903934188349E+02 -0.47495E-03 -0.13409E-04 744 0.824E-02 0.134E-02
DAV: 18 -0.903936802684E+02 -0.26143E-03 -0.68929E-05 640 0.438E-02 0.132E-02
DAV: 19 -0.903938182959E+02 -0.13803E-03 -0.13406E-05 471 0.269E-02 0.742E-03
DAV: 20 -0.903939095131E+02 -0.91217E-04 -0.36608E-05 608 0.325E-02 0.626E-03
DAV: 21 -0.903939428482E+02 -0.33335E-04 -0.64250E-06 496 0.239E-02 0.190E-03
DAV: 22 -0.903939548765E+02 -0.12028E-04 -0.67783E-06 440 0.134E-02 0.382E-03
DAV: 23 -0.903939603389E+02 -0.54624E-05 -0.89427E-07 453 0.672E-03
1 F= -.90393960E+02 E0= -.90402291E+02 d E =0.249932E-01