In espresso, there is an example to find the workfunction of Al. In the run_example, the input for the the macroscopic average is the following cat > Al100.avg.in <<EOF 1 Al100.pot 1.D0 1440 3 3.835000000 EOF
In this file the quantity "3.835" i saw in average.f90 as "awin ! the size of the window for macroscopic averages" So my doubt is how we can choose this no. Can we get the information from another file prerun file, like Al100.pot, or something else. Also in run_example there is another quantity vSlab vSlab=`grep "17.8087" Al100.avg.out | cut -d \ -f 10` So how the value correspond to "17.8087" is assign as vSlab? Kindly help me in this matter. regards -- Dr. Bipul Rakshit Research Associate, Institute of Physics (IOP), Bhubaneswar- 751 005 Orissa India
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