iterations/neb0_image07_iter54_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.210131877717E+04 0.21013E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.137839638940E+03 -0.22392E+04 -0.21465E+04 2144 0.262E+02
DAV: 3 -0.464147024366E+03 -0.32631E+03 -0.32135E+03 1856 0.108E+02
DAV: 4 -0.477189499266E+03 -0.13042E+02 -0.12991E+02 1960 0.229E+01
DAV: 5 -0.477700198158E+03 -0.51070E+00 -0.51044E+00 2120 0.391E+00 0.428E+01
DAV: 6 -0.448657671380E+03 0.29043E+02 -0.14763E+02 2040 0.318E+01 0.271E+01
DAV: 7 -0.445884126034E+03 0.27735E+01 -0.26441E+01 1880 0.118E+01 0.126E+01
DAV: 8 -0.445973043197E+03 -0.88917E-01 -0.86786E+00 1960 0.651E+00 0.976E+00
DAV: 9 -0.446841283928E+03 -0.86824E+00 -0.18462E+01 2480 0.709E+00 0.690E+00
DAV: 10 -0.446330427071E+03 0.51086E+00 -0.14529E+00 1832 0.242E+00 0.586E+00
DAV: 11 -0.445861740144E+03 0.46869E+00 -0.41549E-01 2248 0.202E+00 0.455E+00
DAV: 12 -0.445372010467E+03 0.48973E+00 -0.84606E-01 2224 0.229E+00 0.126E+00
DAV: 13 -0.445384769323E+03 -0.12759E-01 -0.17748E-01 1920 0.877E-01 0.730E-01
DAV: 14 -0.445388534263E+03 -0.37649E-02 -0.10790E-02 2032 0.237E-01 0.652E-01
DAV: 15 -0.445401637992E+03 -0.13104E-01 -0.29315E-02 2240 0.482E-01 0.105E+00
DAV: 16 -0.445391786856E+03 0.98511E-02 -0.11943E-02 1864 0.441E-01 0.295E-01
DAV: 17 -0.445393063223E+03 -0.12764E-02 -0.54556E-03 1816 0.138E-01 0.233E-01
DAV: 18 -0.445394232585E+03 -0.11694E-02 -0.58647E-04 2168 0.543E-02 0.269E-01
DAV: 19 -0.445395841567E+03 -0.16090E-02 -0.69667E-04 2104 0.901E-02 0.115E-01
DAV: 20 -0.445398085764E+03 -0.22442E-02 -0.65088E-04 1864 0.706E-02 0.808E-02
DAV: 21 -0.445398806709E+03 -0.72094E-03 -0.19598E-04 1832 0.398E-02 0.613E-02
DAV: 22 -0.445399288132E+03 -0.48142E-03 -0.11200E-04 1872 0.305E-02 0.131E-01
DAV: 23 -0.445399884071E+03 -0.59594E-03 -0.28834E-04 2056 0.545E-02 0.845E-02
DAV: 24 -0.445400151075E+03 -0.26700E-03 -0.13383E-04 1800 0.234E-02 0.522E-02
DAV: 25 -0.445400236801E+03 -0.85726E-04 -0.31687E-05 1536 0.173E-02 0.473E-02
DAV: 26 -0.445400256971E+03 -0.20170E-04 -0.13878E-05 1112 0.132E-02 0.915E-03
DAV: 27 -0.445400291436E+03 -0.34465E-04 -0.93555E-06 1016 0.736E-03 0.508E-03
DAV: 28 -0.445400312357E+03 -0.20921E-04 -0.29181E-06 984 0.445E-03 0.119E-02
DAV: 29 -0.445400325463E+03 -0.13106E-04 -0.20915E-06 968 0.374E-03 0.476E-03
DAV: 30 -0.445400335918E+03 -0.10455E-04 -0.95940E-07 944 0.314E-03 0.382E-03
DAV: 31 -0.445400341012E+03 -0.50938E-05 -0.78190E-07 936 0.210E-03
1 F= -.44540034E+03 E0= -.44538846E+03 d E =-.356537E-01