./neb0_image06_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145031613560E+04 0.14503E+04 -0.44221E+04 330 0.697E+02
DAV: 2 0.227358619422E+03 -0.12230E+04 -0.11466E+04 426 0.163E+02
DAV: 3 -0.365397122570E+03 -0.59276E+03 -0.58946E+03 354 0.114E+02
DAV: 4 -0.433198611862E+03 -0.67801E+02 -0.67547E+02 318 0.490E+01
DAV: 5 -0.434684822694E+03 -0.14862E+01 -0.14837E+01 318 0.756E+00 0.426E+01
DAV: 6 -0.388889245559E+03 0.45796E+02 -0.14830E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385457586134E+03 0.34317E+01 -0.13135E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.383984318228E+03 0.14733E+01 -0.18978E+00 327 0.381E+00 0.432E+00
DAV: 9 -0.383464500639E+03 0.51982E+00 -0.14961E+00 336 0.225E+00 0.115E+00
DAV: 10 -0.383391576104E+03 0.72925E-01 -0.19454E-01 336 0.101E+00 0.936E-01
DAV: 11 -0.383368748558E+03 0.22828E-01 -0.13092E-01 327 0.578E-01 0.800E-01
DAV: 12 -0.383334498580E+03 0.34250E-01 -0.88589E-02 363 0.624E-01 0.727E-01
DAV: 13 -0.383323907732E+03 0.10591E-01 -0.10212E-01 345 0.519E-01 0.502E-01
DAV: 14 -0.383311964295E+03 0.11943E-01 -0.19260E-02 318 0.434E-01 0.405E-01
DAV: 15 -0.383310955900E+03 0.10084E-02 -0.83841E-03 318 0.264E-01 0.411E-01
DAV: 16 -0.383315145979E+03 -0.41901E-02 -0.16017E-02 300 0.244E-01 0.157E-01
DAV: 17 -0.383325618107E+03 -0.10472E-01 -0.54139E-03 300 0.225E-01 0.153E-01
DAV: 18 -0.383331194452E+03 -0.55763E-02 -0.22083E-03 327 0.124E-01 0.820E-02
DAV: 19 -0.383339872158E+03 -0.86777E-02 -0.90284E-04 288 0.818E-02 0.559E-02
DAV: 20 -0.383348871188E+03 -0.89990E-02 -0.10026E-03 318 0.931E-02 0.539E-02
DAV: 21 -0.383353849748E+03 -0.49786E-02 -0.78672E-04 318 0.645E-02 0.462E-02
DAV: 22 -0.383357021910E+03 -0.31722E-02 -0.16016E-04 318 0.306E-02 0.440E-02
DAV: 23 -0.383360926389E+03 -0.39045E-02 -0.35283E-04 300 0.322E-02 0.161E-02
DAV: 24 -0.383362076718E+03 -0.11503E-02 -0.65608E-05 309 0.169E-02 0.101E-02
DAV: 25 -0.383362623116E+03 -0.54640E-03 -0.12432E-05 228 0.813E-03 0.607E-03
DAV: 26 -0.383363211090E+03 -0.58797E-03 -0.31826E-05 273 0.880E-03 0.341E-03
DAV: 27 -0.383363379483E+03 -0.16839E-03 -0.29266E-06 228 0.429E-03 0.265E-03
DAV: 28 -0.383363528699E+03 -0.14922E-03 -0.58806E-06 201 0.410E-03 0.222E-03
DAV: 29 -0.383363568673E+03 -0.39973E-04 -0.13697E-06 237 0.273E-03 0.310E-03
DAV: 30 -0.383363609547E+03 -0.40875E-04 -0.21282E-06 192 0.306E-03 0.114E-03
DAV: 31 -0.383363615167E+03 -0.56202E-05 -0.54050E-07 228 0.185E-03
1 F= -.38336362E+03 E0= -.38338040E+03 d E =0.503512E-01