Questions tagged [software-input-file-request]
Questions requesting for an input file or part of an input file in order to do a certain thing in a specific software.
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How to start with the optical properties of 2D materials with the VASP code?
I hope you are doing well. I am new to VASP, and my project is "Optical properties of 2D materials on VASP" but I have no idea how to run a simple calculation with VASP. I will be very ...
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How do I build and run a simulation of water molecules in NAMD?
So, I have started to learn NAMD because I need that for a project I will be doing in the next couple of months. I have some prior experience of MD with gromacs. I thought that since NAMD has a GUI ...
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What input setting in Quantum ESPRESSO will allow me to calculate the free energy of a solid? [closed]
I understand that it's possible to calculate the Gibbs free energy of a system ab initio, see for example: How can we calculate the Gibbs free energy from first principles?
I'm wondering how I can do ...
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