./Stage_1/H OSZICAR.out output for 45: Energy of formation TMOS (re-do job_930)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.155892250246E+01 0.15589E+01 -0.54619E+02 16 0.120E+02
DAV: 2 -0.731863547634E+01 -0.88776E+01 -0.88776E+01 24 0.264E+01
DAV: 3 -0.743833806399E+01 -0.11970E+00 -0.11970E+00 24 0.612E+00
DAV: 4 -0.743842865913E+01 -0.90595E-04 -0.90595E-04 16 0.168E-01
DAV: 5 -0.743842911764E+01 -0.45851E-06 -0.45851E-06 16 0.126E-02 0.446E+00
DAV: 6 -0.699733748537E+01 0.44109E+00 -0.22260E-01 16 0.135E+00 0.244E+00
DAV: 7 -0.675444986309E+01 0.24289E+00 -0.53632E-01 16 0.213E+00 0.306E-01
DAV: 8 -0.675774933895E+01 -0.32995E-02 -0.68117E-03 16 0.219E-01 0.254E-01
DAV: 9 -0.675338656115E+01 0.43628E-02 -0.53976E-03 16 0.205E-01 0.436E-02
DAV: 10 -0.675613340627E+01 -0.27468E-02 -0.12244E-03 16 0.915E-02 0.336E-02
DAV: 11 -0.675639312267E+01 -0.25972E-03 -0.13913E-05 24 0.175E-02 0.211E-02
DAV: 12 -0.675835514360E+01 -0.19620E-02 -0.52097E-04 16 0.654E-02 0.122E-02
DAV: 13 -0.675857054595E+01 -0.21540E-03 -0.25020E-05 16 0.137E-02 0.103E-02
DAV: 14 -0.675868333614E+01 -0.11279E-03 -0.96361E-06 16 0.861E-03 0.248E-03
DAV: 15 -0.675871675146E+01 -0.33415E-04 -0.17341E-06 16 0.335E-03 0.616E-04
DAV: 16 -0.675872120581E+01 -0.44544E-05 -0.19924E-07 16 0.136E-03 0.434E-04
DAV: 17 -0.675872330089E+01 -0.20951E-05 -0.10034E-07 16 0.839E-04 0.351E-04
DAV: 18 -0.675872345504E+01 -0.15415E-06 -0.10997E-08 16 0.271E-04 0.677E-05
DAV: 19 -0.675872364354E+01 -0.18850E-06 -0.19654E-09 16 0.141E-04 0.215E-05
DAV: 20 -0.675872365786E+01 -0.14321E-07 -0.13028E-10 16 0.381E-05
1 F= -.67587237E+01 E0= -.67587237E+01 d E =-.675872E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.675863975070E+01 0.83893E-04 -0.47796E-03 16 0.325E-01 0.337E-02
DAV: 2 -0.675862213576E+01 0.17615E-04 -0.23709E-05 16 0.201E-02 0.186E-02
DAV: 3 -0.675861535644E+01 0.67793E-05 -0.20887E-05 24 0.125E-02 0.137E-03
DAV: 4 -0.675861577867E+01 -0.42223E-06 -0.59446E-08 16 0.692E-04 0.730E-04
DAV: 5 -0.675861619276E+01 -0.41409E-06 -0.44540E-08 16 0.726E-04 0.123E-04
DAV: 6 -0.675861672700E+01 -0.53424E-06 -0.50545E-08 16 0.521E-04 0.121E-04
DAV: 7 -0.675861676077E+01 -0.33770E-07 -0.31449E-10 24 0.727E-05
2 F= -.67586168E+01 E0= -.67586168E+01 d E =0.106897E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.675875948213E+01 -0.14276E-03 -0.23222E-03 16 0.226E-01 0.236E-02
DAV: 2 -0.675875074578E+01 0.87363E-05 -0.12313E-05 16 0.145E-02 0.129E-02
DAV: 3 -0.675874782728E+01 0.29185E-05 -0.98807E-06 16 0.874E-03 0.938E-04
DAV: 4 -0.675874796738E+01 -0.14010E-06 -0.35270E-08 16 0.746E-04 0.469E-04
DAV: 5 -0.675874807330E+01 -0.10592E-06 -0.17869E-08 16 0.440E-04 0.826E-05
DAV: 6 -0.675874831628E+01 -0.24298E-06 -0.78494E-09 16 0.205E-04 0.557E-05
DAV: 7 -0.675874844149E+01 -0.12521E-06 -0.22489E-09 16 0.107E-04 0.221E-05
DAV: 8 -0.675874870323E+01 -0.26174E-06 -0.46013E-09 16 0.156E-04 0.147E-05
DAV: 9 -0.675874876594E+01 -0.62713E-07 -0.48775E-10 16 0.558E-05
3 F= -.67587488E+01 E0= -.67587488E+01 d E =-.251081E-04