iterations/neb0_image08_iter39_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 0.376368686110E+03 0.37637E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.375922767106E+01 -0.37261E+03 -0.35878E+03 869 0.196E+02
DAV: 3 -0.967154445315E+02 -0.10047E+03 -0.10014E+03 680 0.117E+02
DAV: 4 -0.101099567224E+03 -0.43841E+01 -0.43738E+01 704 0.279E+01
DAV: 5 -0.101184492143E+03 -0.84925E-01 -0.84889E-01 728 0.351E+00 0.228E+01
DAV: 6 -0.925248769398E+02 0.86596E+01 -0.30728E+01 690 0.302E+01 0.119E+01
DAV: 7 -0.916470150469E+02 0.87786E+00 -0.17086E+00 728 0.617E+00 0.481E+00
DAV: 8 -0.912677061508E+02 0.37931E+00 -0.55510E-01 704 0.402E+00 0.165E+00
DAV: 9 -0.911831063040E+02 0.84600E-01 -0.13200E-01 712 0.159E+00 0.432E-01
DAV: 10 -0.911735756847E+02 0.95306E-02 -0.42579E-02 768 0.107E+00 0.297E-01
DAV: 11 -0.911783423469E+02 -0.47667E-02 -0.13824E-02 608 0.623E-01 0.166E-01
DAV: 12 -0.911805440243E+02 -0.22017E-02 -0.23612E-03 642 0.266E-01 0.963E-02
DAV: 13 -0.911848721056E+02 -0.43281E-02 -0.24427E-03 647 0.250E-01 0.587E-02
DAV: 14 -0.911869131549E+02 -0.20410E-02 -0.57541E-04 744 0.183E-01 0.407E-02
DAV: 15 -0.911898719384E+02 -0.29588E-02 -0.68250E-04 625 0.126E-01 0.362E-02
DAV: 16 -0.911906285482E+02 -0.75661E-03 -0.95930E-05 752 0.677E-02 0.165E-02
DAV: 17 -0.911915880644E+02 -0.95952E-03 -0.19661E-04 625 0.750E-02 0.166E-02
DAV: 18 -0.911918523930E+02 -0.26433E-03 -0.22947E-05 544 0.333E-02 0.123E-02
DAV: 19 -0.911919852388E+02 -0.13285E-03 -0.38825E-05 645 0.341E-02 0.455E-03
DAV: 20 -0.911920243054E+02 -0.39067E-04 -0.41638E-06 480 0.171E-02 0.148E-03
DAV: 21 -0.911920474257E+02 -0.23120E-04 -0.25032E-06 418 0.722E-03 0.148E-03
DAV: 22 -0.911920587817E+02 -0.11356E-04 -0.14658E-06 441 0.489E-03 0.159E-03
DAV: 23 -0.911920601868E+02 -0.14051E-05 -0.27616E-07 504 0.258E-03
1 F= -.91192060E+02 E0= -.91196851E+02 d E =0.143732E-01