./Stage_1/0.005_+e6 OSZICAR.out output for 746: MT amorphous(poly(oxydiphenylene_pyromellitide)) from job 738 (test-4)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.394033039879E+04 0.39403E+04 -0.28956E+05 896 0.111E+03
DAV: 2 -0.105539659383E+04 -0.49957E+04 -0.48051E+04 1144 0.298E+02
DAV: 3 -0.152663342568E+04 -0.47124E+03 -0.46622E+03 1032 0.968E+01
DAV: 4 -0.153866637495E+04 -0.12033E+02 -0.11977E+02 1104 0.166E+01
DAV: 5 -0.153904354908E+04 -0.37717E+00 -0.37660E+00 1096 0.275E+00 0.627E+01
DAV: 6 -0.144832818895E+04 0.90715E+02 -0.17352E+02 1000 0.196E+01 0.341E+01
DAV: 7 -0.143033797857E+04 0.17990E+02 -0.48420E+01 1072 0.114E+01 0.159E+01
DAV: 8 -0.142854001428E+04 0.17980E+01 -0.10583E+01 1040 0.496E+00 0.583E+00
DAV: 9 -0.142848895012E+04 0.51064E-01 -0.13068E+00 1064 0.236E+00 0.198E+00
DAV: 10 -0.142848593655E+04 0.30136E-02 -0.34118E-01 992 0.114E+00 0.697E-01
DAV: 11 -0.142849268899E+04 -0.67524E-02 -0.79745E-02 1024 0.491E-01 0.398E-01
DAV: 12 -0.142849361313E+04 -0.92414E-03 -0.10931E-02 1000 0.240E-01 0.230E-01
DAV: 13 -0.142849265946E+04 0.95367E-03 -0.61464E-03 968 0.212E-01 0.111E-01
DAV: 14 -0.142849101516E+04 0.16443E-02 -0.32509E-03 1088 0.152E-01 0.677E-02
DAV: 15 -0.142849050106E+04 0.51410E-03 -0.14008E-03 1040 0.853E-02 0.418E-02
DAV: 16 -0.142849032942E+04 0.17164E-03 -0.21195E-04 1080 0.373E-02 0.246E-02
DAV: 17 -0.142849025408E+04 0.75339E-04 -0.34197E-05 1008 0.269E-02 0.121E-02
DAV: 18 -0.142849022435E+04 0.29732E-04 -0.25319E-05 976 0.232E-02 0.714E-03
DAV: 19 -0.142849021360E+04 0.10757E-04 -0.33009E-05 1008 0.181E-02 0.563E-03
DAV: 20 -0.142849020915E+04 0.44444E-05 -0.12082E-05 728 0.103E-02
1 F= -.14284902E+04 E0= -.14285071E+04 d E =-.142849E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142837913912E+04 0.11107E+00 -0.11579E+01 920 0.574E+00 0.957E-01
DAV: 2 -0.142840942842E+04 -0.30289E-01 -0.42409E-01 1064 0.964E-01 0.606E-01
DAV: 3 -0.142840414506E+04 0.52834E-02 -0.16931E-02 1064 0.256E-01 0.355E-01
DAV: 4 -0.142840287651E+04 0.12686E-02 -0.71807E-03 1040 0.165E-01 0.143E-01
DAV: 5 -0.142840284290E+04 0.33611E-04 -0.13460E-03 1048 0.756E-02 0.649E-02
DAV: 6 -0.142840283074E+04 0.12162E-04 -0.30860E-04 1024 0.350E-02 0.319E-02
DAV: 7 -0.142840280848E+04 0.22260E-04 -0.64687E-05 1032 0.193E-02 0.162E-02
DAV: 8 -0.142840279798E+04 0.10499E-04 -0.21535E-05 768 0.135E-02 0.620E-03
DAV: 9 -0.142840279287E+04 0.51106E-05 -0.92756E-06 648 0.933E-03
2 F= -.14284028E+04 E0= -.14284181E+04 d E =0.874163E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142848119817E+04 -0.78400E-01 -0.72752E+00 912 0.455E+00 0.749E-01
DAV: 2 -0.142850072990E+04 -0.19532E-01 -0.27015E-01 1064 0.765E-01 0.482E-01
DAV: 3 -0.142849739213E+04 0.33378E-02 -0.10552E-02 1064 0.199E-01 0.285E-01
DAV: 4 -0.142849656646E+04 0.82567E-03 -0.44076E-03 1040 0.129E-01 0.107E-01
DAV: 5 -0.142849657252E+04 -0.60669E-05 -0.85227E-04 1064 0.582E-02 0.419E-02
DAV: 6 -0.142849656659E+04 0.59366E-05 -0.13580E-04 1024 0.214E-02 0.221E-02
DAV: 7 -0.142849655772E+04 0.88699E-05 -0.22052E-05 672 0.122E-02
3 F= -.14284966E+04 E0= -.14285127E+04 d E =-.634857E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849898878E+04 -0.24222E-02 -0.16963E+00 912 0.226E+00 0.366E-01
DAV: 2 -0.142850283523E+04 -0.38465E-02 -0.51271E-02 1032 0.356E-01 0.250E-01
DAV: 3 -0.142850220365E+04 0.63158E-03 -0.17907E-03 1048 0.947E-02 0.158E-01
DAV: 4 -0.142850212756E+04 0.76093E-04 -0.17262E-03 1016 0.751E-02 0.569E-02
DAV: 5 -0.142850212417E+04 0.33940E-05 -0.24863E-04 1088 0.335E-02 0.299E-02
DAV: 6 -0.142850212364E+04 0.52706E-06 -0.51146E-05 944 0.134E-02
4 F= -.14285021E+04 E0= -.14285181E+04 d E =-.556592E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142850243008E+04 -0.30591E-03 -0.80297E-02 912 0.493E-01 0.768E-02
DAV: 2 -0.142850259871E+04 -0.16863E-03 -0.23301E-03 1032 0.759E-02 0.539E-02
DAV: 3 -0.142850256858E+04 0.30133E-04 -0.83926E-05 1048 0.202E-02 0.343E-02
DAV: 4 -0.142850256454E+04 0.40377E-05 -0.76648E-05 976 0.158E-02
5 F= -.14285026E+04 E0= -.14285186E+04 d E =-.600682E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142850274078E+04 -0.17220E-03 -0.10210E+00 912 0.172E+00 0.263E-01
DAV: 2 -0.142850480172E+04 -0.20609E-02 -0.29128E-02 1072 0.259E-01 0.156E-01
DAV: 3 -0.142850450288E+04 0.29884E-03 -0.10447E-03 1056 0.703E-02 0.953E-02
DAV: 4 -0.142850448513E+04 0.17750E-04 -0.74433E-04 1048 0.542E-02 0.437E-02
DAV: 5 -0.142850448677E+04 -0.16430E-05 -0.16615E-04 1024 0.268E-02 0.251E-02
DAV: 6 -0.142850448543E+04 0.13428E-05 -0.35501E-05 832 0.118E-02
6 F= -.14285045E+04 E0= -.14285208E+04 d E =-.192089E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142850501422E+04 -0.52745E-03 -0.12348E-01 912 0.597E-01 0.904E-02
DAV: 2 -0.142850526148E+04 -0.24725E-03 -0.35181E-03 1072 0.900E-02 0.536E-02
DAV: 3 -0.142850522492E+04 0.36559E-04 -0.12221E-04 1056 0.239E-02 0.328E-02
DAV: 4 -0.142850522324E+04 0.16812E-05 -0.87496E-05 1032 0.178E-02
7 F= -.14285052E+04 E0= -.14285215E+04 d E =-.265870E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142850598012E+04 -0.75521E-03 -0.92990E-02 920 0.525E-01 0.709E-02
DAV: 2 -0.142850616445E+04 -0.18432E-03 -0.24105E-03 1056 0.761E-02 0.443E-02
DAV: 3 -0.142850614732E+04 0.17131E-04 -0.94634E-05 1072 0.177E-02 0.263E-02
DAV: 4 -0.142850614290E+04 0.44158E-05 -0.29644E-05 768 0.115E-02
8 F= -.14285061E+04 E0= -.14285223E+04 d E =-.919665E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142850618844E+04 -0.41119E-04 -0.83153E-03 920 0.157E-01 0.235E-02
DAV: 2 -0.142850620461E+04 -0.16171E-04 -0.21397E-04 1056 0.228E-02 0.139E-02
DAV: 3 -0.142850620300E+04 0.16051E-05 -0.71316E-06 544 0.555E-03
9 F= -.14285062E+04 E0= -.14285224E+04 d E =-.979765E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142850682153E+04 -0.61692E-03 -0.75918E-02 912 0.471E-01 0.637E-02
DAV: 2 -0.142850696586E+04 -0.14434E-03 -0.18416E-03 1040 0.656E-02 0.429E-02
DAV: 3 -0.142850695301E+04 0.12848E-04 -0.54950E-05 984 0.153E-02 0.272E-02
DAV: 4 -0.142850695045E+04 0.25603E-05 -0.37878E-05 848 0.118E-02
10 F= -.14285070E+04 E0= -.14285230E+04 d E =-.747453E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142850704784E+04 -0.94827E-04 -0.36414E-02 912 0.326E-01 0.456E-02
DAV: 2 -0.142850711912E+04 -0.71275E-04 -0.90663E-04 1040 0.462E-02 0.306E-02
DAV: 3 -0.142850711248E+04 0.66367E-05 -0.25351E-05 736 0.111E-02
11 F= -.14285071E+04 E0= -.14285232E+04 d E =-.909478E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142850755270E+04 -0.43358E-03 -0.79654E-02 912 0.479E-01 0.665E-02
DAV: 2 -0.142850771004E+04 -0.15734E-03 -0.19757E-03 1040 0.669E-02 0.395E-02
DAV: 3 -0.142850770084E+04 0.91957E-05 -0.63148E-05 1000 0.149E-02
12 F= -.14285077E+04 E0= -.14285237E+04 d E =-.588362E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142850775545E+04 -0.45416E-04 -0.39207E-02 912 0.336E-01 0.501E-02
DAV: 2 -0.142850782519E+04 -0.69733E-04 -0.92120E-04 1032 0.458E-02 0.298E-02
DAV: 3 -0.142850782089E+04 0.42990E-05 -0.32386E-05 824 0.107E-02
13 F= -.14285078E+04 E0= -.14285239E+04 d E =-.708408E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142850811902E+04 -0.29384E-03 -0.52580E-02 912 0.387E-01 0.524E-02
DAV: 2 -0.142850821101E+04 -0.91984E-04 -0.11936E-03 1032 0.526E-02 0.330E-02
DAV: 3 -0.142850820365E+04 0.73526E-05 -0.35386E-05 824 0.121E-02
14 F= -.14285082E+04 E0= -.14285242E+04 d E =-.382766E-03