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Using Bash script

  1. copy files to working dir 

    1
    cp bash/* .

  2. generate input files: 

    1
    bash ./k_conv.sh

  3. run pw.x for each input file: 

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    for val in {02..10..1}
do
pw.x < $inp &> ${inp%.*}.out_conv
done

  4. extract total energy from output files: 

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    bash get_data.sh

  5. plot 

    1
    gnuplot plot_k_conv.gplt

Using python

  1. copy files to working dir 

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    cp python/* .

  2. generate input files: 

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    python k_conv.py

  3. run pw.x for each input file: 

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    for val in {02..10..1}
do
pw.x < $inp &> ${inp%.*}.out_conv
done

  4. extract total energy from output files: 

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    python get_data.py

  5. plot 

    1
    gnuplot plot_k_conv.py