iterations/neb0_image07_iter35_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 0.376398274135E+03 0.37640E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.385782701186E+01 -0.37254E+03 -0.35941E+03 861 0.196E+02
DAV: 3 -0.963729665950E+02 -0.10023E+03 -0.99898E+02 664 0.117E+02
DAV: 4 -0.100782868689E+03 -0.44099E+01 -0.43983E+01 728 0.284E+01
DAV: 5 -0.100867775075E+03 -0.84906E-01 -0.84883E-01 728 0.356E+00 0.230E+01
DAV: 6 -0.920951414332E+02 0.87726E+01 -0.30553E+01 671 0.304E+01 0.120E+01
DAV: 7 -0.911844508758E+02 0.91069E+00 -0.17190E+00 720 0.624E+00 0.482E+00
DAV: 8 -0.908003794670E+02 0.38407E+00 -0.56212E-01 696 0.409E+00 0.166E+00
DAV: 9 -0.907140543672E+02 0.86325E-01 -0.13400E-01 728 0.159E+00 0.438E-01
DAV: 10 -0.907038553837E+02 0.10199E-01 -0.41310E-02 760 0.105E+00 0.296E-01
DAV: 11 -0.907083163975E+02 -0.44610E-02 -0.11635E-02 607 0.591E-01 0.153E-01
DAV: 12 -0.907105311419E+02 -0.22147E-02 -0.19104E-03 640 0.229E-01 0.111E-01
DAV: 13 -0.907151944988E+02 -0.46634E-02 -0.28976E-03 633 0.296E-01 0.593E-02
DAV: 14 -0.907170123478E+02 -0.18178E-02 -0.36042E-04 712 0.146E-01 0.352E-02
DAV: 15 -0.907204313528E+02 -0.34190E-02 -0.73631E-04 609 0.143E-01 0.336E-02
DAV: 16 -0.907210227416E+02 -0.59139E-03 -0.64885E-05 768 0.667E-02 0.210E-02
DAV: 17 -0.907219624615E+02 -0.93972E-03 -0.19704E-04 676 0.874E-02 0.160E-02
DAV: 18 -0.907223848733E+02 -0.42241E-03 -0.55744E-05 680 0.481E-02 0.107E-02
DAV: 19 -0.907225271990E+02 -0.14233E-03 -0.14860E-05 480 0.194E-02 0.644E-03
DAV: 20 -0.907226009844E+02 -0.73785E-04 -0.16113E-05 467 0.207E-02 0.276E-03
DAV: 21 -0.907226145191E+02 -0.13535E-04 -0.25730E-06 536 0.101E-02 0.189E-03
DAV: 22 -0.907226354725E+02 -0.20953E-04 -0.39961E-06 389 0.982E-03 0.257E-03
DAV: 23 -0.907226367773E+02 -0.13048E-05 -0.56562E-07 504 0.570E-03
1 F= -.90722637E+02 E0= -.90728163E+02 d E =0.165792E-01