iterations/neb0_image04_iter161_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 0.364237979168E+03 0.36424E+03 -0.14358E+04 640 0.799E+02
DAV: 2 0.880656027662E+00 -0.36336E+03 -0.35052E+03 874 0.194E+02
DAV: 3 -0.958873693818E+02 -0.96768E+02 -0.96457E+02 658 0.115E+02
DAV: 4 -0.100197858195E+03 -0.43105E+01 -0.43006E+01 712 0.281E+01
DAV: 5 -0.100279435430E+03 -0.81577E-01 -0.81545E-01 728 0.351E+00 0.224E+01
DAV: 6 -0.915802794035E+02 0.86992E+01 -0.30862E+01 696 0.297E+01 0.117E+01
DAV: 7 -0.907209729928E+02 0.85931E+00 -0.18020E+00 696 0.628E+00 0.482E+00
DAV: 8 -0.903157723921E+02 0.40520E+00 -0.55864E-01 712 0.422E+00 0.164E+00
DAV: 9 -0.902198350132E+02 0.95937E-01 -0.13249E-01 704 0.168E+00 0.440E-01
DAV: 10 -0.902109866747E+02 0.88483E-02 -0.46851E-02 704 0.114E+00 0.333E-01
DAV: 11 -0.902148445447E+02 -0.38579E-02 -0.68270E-03 624 0.531E-01 0.118E-01
DAV: 12 -0.902179975048E+02 -0.31530E-02 -0.45348E-03 631 0.322E-01 0.112E-01
DAV: 13 -0.902223860153E+02 -0.43885E-02 -0.10715E-03 661 0.223E-01 0.829E-02
DAV: 14 -0.902258968287E+02 -0.35108E-02 -0.19233E-03 658 0.213E-01 0.754E-02
DAV: 15 -0.902267761772E+02 -0.87935E-03 -0.22923E-04 904 0.111E-01 0.416E-02
DAV: 16 -0.902289454486E+02 -0.21693E-02 -0.54225E-04 641 0.127E-01 0.243E-02
DAV: 17 -0.902299984431E+02 -0.10530E-02 -0.98698E-05 680 0.453E-02 0.247E-02
DAV: 18 -0.902305890469E+02 -0.59060E-03 -0.13732E-04 711 0.712E-02 0.987E-03
DAV: 19 -0.902306941196E+02 -0.10507E-03 -0.29507E-05 720 0.289E-02 0.106E-02
DAV: 20 -0.902307886507E+02 -0.94531E-04 -0.10904E-05 409 0.203E-02 0.673E-03
DAV: 21 -0.902308283015E+02 -0.39651E-04 -0.12744E-05 485 0.202E-02 0.300E-03
DAV: 22 -0.902308484405E+02 -0.20139E-04 -0.23989E-06 440 0.111E-02 0.161E-03
DAV: 23 -0.902308614993E+02 -0.13059E-04 -0.33327E-06 458 0.876E-03 0.204E-03
DAV: 24 -0.902308616549E+02 -0.15558E-06 -0.40384E-07 536 0.395E-03
1 F= -.90230862E+02 E0= -.90239531E+02 d E =0.260086E-01