Questions tagged [bulk-modulus]

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1answer
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How to extract the Pressure, Energy and unit-cell volume from quantum ESPRESSO output file using bash script?

I needed the Energy and Volume values for predicting the bulk modulus of a crystal via the Birch Murmaghan equation. Can I get a bash script for doing the same.
4
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1answer
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How to use the ev.x tool in Quantum ESPRESSO?

The requirement I have is to calculate the bulk modulus from the Energy values at certain Volumes obtained via DFT calculations. Can you provide the instructions to use the ev.x tool in the Quantum ...