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10:46 AM
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Q: Exploring Elastic Constants Calculation in VASP: Methods and Best Practices

Farah ShehzadiI'm interested in calculating elastic constants for 2D (monolayer)using VASP and I'm looking for guidance on the necessary steps. Could anyone here provide some insight into how to go about this process effectively? Any tips or resources would be greatly appreciated.

 
11:09 AM
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Q: Is it neccessary to apply dipole corrections in TMD bilayers?

Miguel Morales CoceraI am at the beginning of my PhD and I just learned about the dipole correction in ab-initio calculations. I have seen that it is used mainly when an electric field is applied to a system. But I have also read in https://christoph-wolf.at/2018/05/02/dipole-correction-in-quantum-espresso/ that some...

 

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