iterations/neb0_image05_iter10_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 0.356088309715E+03 0.35609E+03 -0.14200E+04 632 0.799E+02
DAV: 2 0.591099106848E+01 -0.35018E+03 -0.33855E+03 858 0.191E+02
DAV: 3 -0.905963530048E+02 -0.96507E+02 -0.95880E+02 704 0.113E+02
DAV: 4 -0.953622834024E+02 -0.47659E+01 -0.47455E+01 696 0.274E+01
DAV: 5 -0.954721057990E+02 -0.10982E+00 -0.10976E+00 744 0.363E+00 0.212E+01
DAV: 6 -0.873147539280E+02 0.81574E+01 -0.31379E+01 720 0.304E+01 0.111E+01
DAV: 7 -0.865953617796E+02 0.71939E+00 -0.18539E+00 736 0.781E+00 0.483E+00
DAV: 8 -0.862388390679E+02 0.35652E+00 -0.67027E-01 728 0.450E+00 0.173E+00
DAV: 9 -0.861677237667E+02 0.71115E-01 -0.16362E-01 728 0.195E+00 0.555E-01
DAV: 10 -0.861592148125E+02 0.85090E-02 -0.34150E-02 856 0.117E+00 0.287E-01
DAV: 11 -0.861590279659E+02 0.18685E-03 -0.76478E-03 720 0.534E-01 0.190E-01
DAV: 12 -0.861624196090E+02 -0.33916E-02 -0.77329E-03 608 0.477E-01 0.127E-01
DAV: 13 -0.861664327017E+02 -0.40131E-02 -0.19408E-03 756 0.308E-01 0.627E-02
DAV: 14 -0.861691202859E+02 -0.26876E-02 -0.94281E-04 650 0.146E-01 0.468E-02
DAV: 15 -0.861713012197E+02 -0.21809E-02 -0.68973E-04 685 0.164E-01 0.414E-02
DAV: 16 -0.861726853174E+02 -0.13841E-02 -0.32446E-04 789 0.115E-01 0.226E-02
DAV: 17 -0.861730999235E+02 -0.41461E-03 -0.96865E-05 752 0.643E-02 0.128E-02
DAV: 18 -0.861736779411E+02 -0.57802E-03 -0.10001E-04 615 0.496E-02 0.119E-02
DAV: 19 -0.861739094198E+02 -0.23148E-03 -0.17228E-05 493 0.287E-02 0.632E-03
DAV: 20 -0.861740278246E+02 -0.11840E-03 -0.45741E-05 613 0.341E-02 0.846E-03
DAV: 21 -0.861740526644E+02 -0.24840E-04 -0.14228E-05 568 0.291E-02 0.243E-03
DAV: 22 -0.861740703572E+02 -0.17693E-04 -0.48051E-06 415 0.116E-02 0.211E-03
DAV: 23 -0.861740814934E+02 -0.11136E-04 -0.15499E-06 450 0.467E-03 0.147E-03
DAV: 24 -0.861740843752E+02 -0.28817E-05 -0.81527E-07 488 0.562E-03
1 F= -.86174084E+02 E0= -.86177974E+02 d E =0.116700E-01