iterations/neb0_image07_iter226_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 0.371029120329E+03 0.37103E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.372645984746E+01 -0.36730E+03 -0.35533E+03 869 0.194E+02
DAV: 3 -0.965672247482E+02 -0.10029E+03 -0.99987E+02 696 0.116E+02
DAV: 4 -0.101074569936E+03 -0.45073E+01 -0.44953E+01 696 0.277E+01
DAV: 5 -0.101165570168E+03 -0.91000E-01 -0.90942E-01 736 0.352E+00 0.226E+01
DAV: 6 -0.925662721879E+02 0.85993E+01 -0.30727E+01 714 0.299E+01 0.118E+01
DAV: 7 -0.917189637711E+02 0.84731E+00 -0.17289E+00 728 0.619E+00 0.480E+00
DAV: 8 -0.913449513454E+02 0.37401E+00 -0.54784E-01 728 0.398E+00 0.161E+00
DAV: 9 -0.912643719120E+02 0.80579E-01 -0.12961E-01 720 0.155E+00 0.420E-01
DAV: 10 -0.912556409549E+02 0.87310E-02 -0.39648E-02 760 0.102E+00 0.284E-01
DAV: 11 -0.912600712704E+02 -0.44303E-02 -0.11254E-02 613 0.553E-01 0.143E-01
DAV: 12 -0.912630973191E+02 -0.30260E-02 -0.25550E-03 624 0.260E-01 0.863E-02
DAV: 13 -0.912668449154E+02 -0.37476E-02 -0.13721E-03 639 0.175E-01 0.534E-02
DAV: 14 -0.912701102093E+02 -0.32653E-02 -0.99177E-04 781 0.237E-01 0.506E-02
DAV: 15 -0.912714724114E+02 -0.13622E-02 -0.38193E-04 680 0.114E-01 0.379E-02
DAV: 16 -0.912724287068E+02 -0.95630E-03 -0.20014E-04 752 0.810E-02 0.139E-02
DAV: 17 -0.912732861023E+02 -0.85740E-03 -0.13438E-04 696 0.602E-02 0.154E-02
DAV: 18 -0.912735275245E+02 -0.24142E-03 -0.19689E-05 560 0.254E-02 0.920E-03
DAV: 19 -0.912736496786E+02 -0.12215E-03 -0.30843E-05 546 0.291E-02 0.387E-03
DAV: 20 -0.912736774362E+02 -0.27758E-04 -0.31333E-06 504 0.117E-02 0.209E-03
DAV: 21 -0.912736901002E+02 -0.12664E-04 -0.14177E-06 424 0.508E-03 0.121E-03
DAV: 22 -0.912736990109E+02 -0.89107E-05 -0.12036E-06 436 0.501E-03
1 F= -.91273699E+02 E0= -.91279102E+02 d E =0.162098E-01