Swapnil Deshpande

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Questions related from Swapnil Deshpande

How to perform mathematical operation within awk command line for a given numbered directory?

I have attached a simple bash test script as follows. In which each command line works well, except the "awk '{print ($1-i)/(2)}' < file.dat > output$i.dat". In this script, I expect "i"...

11 July 2022 8,379 2 View

How to perform faster calculations with hybrid functionals (HSE, B3LYP) in VASP?

I have used the useful parameters, using the following link, https://cms.mpi.univie.ac.at/wiki/index.php/Specific_hybrid_functionals for example: HSE06 LHFCALC = .TRUE. HFSCREEN = 0.2 GGA =...

06 February 2019 4,217 3 View