[Re:04] Queries about the parameter file

Posted on : August 05, 2016 (Fri) 18:41:25

by Ru

Dear Pro.Akai,

Thanks for your kindness to reply my questions. I tried the command gpd and it did work smoothly. However, I'm confused about the result. Here is it,
-0.7475 16.44 -0.7500 0.03 0.11 0.94 0.02 0.24 0.07 0.01 0.01 10.70
-0.7425 18.43 -0.7450 0.03 0.17 1.05 0.02 0.36 0.09 0.01 0.02 15.61
-0.7375 17.06 -0.7400 0.04 0.16 0.97 0.02 0.37 0.09 0.01 0.01 14.18
-0.7325 15.92 -0.7350 0.04 0.17 0.93 0.02 0.42 0.08 0.01 0.01 15.07
-0.7275 16.04 -0.7300 0.06 0.13 0.98 0.03 0.32 0.08 0.01 0.01 13.41
-0.7225 15.83 -0.7250 0.06 0.14 0.98 0.03 0.34 0.08 0.00 0.01 13.88
-0.7175 15.12 -0.7200 0.05 0.12 0.84 0.03 0.29 0.09 0.00 0.01 12.94
-0.7125 17.97 -0.7150 0.06 0.13 0.78 0.03 0.29 0.08 0.01 0.01 13.07
-0.7075 17.89 -0.7100 0.07 0.14 0.83 0.03 0.34 0.09 0.01 0.01 16.05
-0.7025 20.58 -0.7050 0.07 0.14 0.77 0.04 0.31 0.09 0.01 0.01 16.39
-0.6975 21.04 -0.7000 0.08 0.14 0.73 0.04 0.32 0.09 0.01 0.01 17.44
-0.6925 23.24 -0.6950 0.08 0.16 0.69 0.04 0.35 0.09 0.01 0.01 18.58
-0.6875 30.11 -0.6900 0.17 0.18 0.75 0.07 0.39 0.09 0.01 0.02 25.14
-0.6825 28.41 -0.6850 0.17 0.20 0.81 0.09 0.45 0.09 0.02 0.02 26.97
-0.6775 31.10 -0.6800 0.14 0.22 0.74 0.10 0.46 0.08 0.02 0.01 25.26
-0.6725 27.76 -0.6750 0.14 0.21 0.74 0.09 0.52 0.08 0.02 0.01 25.75
-0.6675 28.01 -0.6700 0.12 0.21 0.72 0.08 0.52 0.08 0.02 0.01 25.18
-0.6625 25.20 -0.6650 0.12 0.20 0.61 0.09 0.53 0.09 0.01 0.01 22.27
-0.6575 22.68 -0.6600 0.12 0.17 0.51 0.09 0.48 0.11 0.01 0.01 21.77
-0.6525 23.51 -0.6550 0.15 0.18 0.43 0.10 0.46 0.10 0.01 0.01 20.08
-0.6475 23.83 -0.6500 0.11 0.20 0.42 0.10 0.54 0.11 0.01 0.01 23.20
-0.6425 22.12 -0.6450 0.13 0.18 0.37 0.10 0.47 0.10 0.01 0.01 20.55
-0.6375 23.94 -0.6400 0.12 0.20 0.33 0.12 0.56 0.10 0.01 0.01 21.02
-0.6325 21.35 -0.6350 0.07 0.17 0.32 0.08 0.51 0.12 0.01 0.01 22.33
-0.6275 24.78 -0.6300 0.09 0.19 0.28 0.08 0.51 0.11 0.01 0.01 21.73
-0.6225 22.89 -0.6250 0.06 0.15 0.23 0.06 0.44 0.13 0.00 0.01 20.21
-0.6175 23.72 -0.6200 0.05 0.16 0.18 0.05 0.43 0.12 0.00 0.01 18.12
-0.6125 21.83 -0.6150 0.06 0.22 0.19 0.06 0.62 0.12 0.00 0.01 24.08
-0.6075 13.89 -0.6100 0.03 0.20 0.15 0.04 0.57 0.10 0.00 0.01 19.21
-0.6025 10.38 -0.6050 0.02 0.21 0.14 0.03 0.64 0.11 0.00 0.00 9.78
and etc...

Can you explain what does all these collumns mean apart from the 1st collumn(I know it's energy level in eV)?
Another question is that would it be possible to extend the energy range? Since the result only shows the energy from -0.7475eV to 0.2475eV.

Best Regards,

Ru