which calculation i have to do and which tags i jave to set for get pressure vs normalized volume plot using vasp?
any concern about kpoints?
I have attached example of pressure vs volume plot
Thanks in advance
Pressure vs normalized volume plot in VASP????
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Pressure vs normalized volume plot in VASP????
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Re: Pressure vs normalized volume plot in VASP????
In short, you need to do calculations at different volumes. Then, the pressure is given by minus the derivative of the energy with respect to the volume. A recommendation is to read more literature in the field of quantum simulation of materials.
In order to get acquainted with VASP, a good starting point is to have a look at the tutorials and videos at the following link: https://www.vasp.at/learn/
In order to get acquainted with VASP, a good starting point is to have a look at the tutorials and videos at the following link: https://www.vasp.at/learn/