./iterations/neb0_image04_iter280_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 0.366583230588E+03 0.36658E+03 -0.14311E+04 624 0.799E+02
DAV: 2 0.417489034625E+00 -0.36617E+03 -0.35520E+03 861 0.195E+02
DAV: 3 -0.961069950206E+02 -0.96524E+02 -0.96233E+02 656 0.116E+02
DAV: 4 -0.100409305502E+03 -0.43023E+01 -0.42941E+01 696 0.280E+01
DAV: 5 -0.100494076239E+03 -0.84771E-01 -0.84742E-01 728 0.350E+00 0.225E+01
DAV: 6 -0.917030221668E+02 0.87911E+01 -0.31504E+01 677 0.301E+01 0.118E+01
DAV: 7 -0.908416982697E+02 0.86132E+00 -0.18344E+00 720 0.661E+00 0.486E+00
DAV: 8 -0.904296460063E+02 0.41205E+00 -0.54059E-01 696 0.455E+00 0.181E+00
DAV: 9 -0.903392368936E+02 0.90409E-01 -0.16029E-01 712 0.216E+00 0.593E-01
DAV: 10 -0.903236741362E+02 0.15563E-01 -0.35888E-02 720 0.102E+00 0.355E-01
DAV: 11 -0.903255449028E+02 -0.18708E-02 -0.15529E-02 720 0.640E-01 0.259E-01
DAV: 12 -0.903281757190E+02 -0.26308E-02 -0.32883E-03 648 0.523E-01 0.162E-01
DAV: 13 -0.903312273899E+02 -0.30517E-02 -0.33701E-03 629 0.405E-01 0.119E-01
DAV: 14 -0.903341131675E+02 -0.28858E-02 -0.19115E-03 687 0.278E-01 0.556E-02
DAV: 15 -0.903371575223E+02 -0.30444E-02 -0.10206E-03 634 0.156E-01 0.579E-02
DAV: 16 -0.903391645874E+02 -0.20071E-02 -0.51569E-04 808 0.182E-01 0.310E-02
DAV: 17 -0.903406432353E+02 -0.14786E-02 -0.36994E-04 644 0.932E-02 0.385E-02
DAV: 18 -0.903411096143E+02 -0.46638E-03 -0.67878E-05 744 0.683E-02 0.208E-02
DAV: 19 -0.903415275280E+02 -0.41791E-03 -0.22698E-04 640 0.939E-02 0.202E-02
DAV: 20 -0.903416477626E+02 -0.12023E-03 -0.35688E-05 629 0.482E-02 0.890E-03
DAV: 21 -0.903417135630E+02 -0.65800E-04 -0.17453E-05 504 0.209E-02 0.410E-03
DAV: 22 -0.903417669413E+02 -0.53378E-04 -0.84997E-06 422 0.140E-02 0.144E-03
DAV: 23 -0.903417784185E+02 -0.11477E-04 -0.29014E-06 480 0.741E-03 0.188E-03
DAV: 24 -0.903417821950E+02 -0.37765E-05 -0.99604E-07 442 0.676E-03
1 F= -.90341782E+02 E0= -.90349939E+02 d E =0.244706E-01