Questions tagged [software-input-file-request]

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7
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How to do a Delta SCF calculation using ABINIT?

I am trying to optimize the crystal structure based on Delta SCF. But I am not so familiar with ABINIT at all. As the ABINIT website do not provide further information. It would be super nice if ...
6
votes
0answers
67 views

VUMAT implementation of crystal plasticity

I am new to crystal plasticity simulations and have been studying the concepts from "Introduction to Crystal Plasticity" in Mechanics of Microstructured Materials book. Additionally, I have ...
10
votes
0answers
54 views

Sample LAMMPS file for graphene growth on a metal surface

I am working with graphene growth on metal substrates. But I need some sample codes to know if I am doing it in the right way because running multiple simulations in LAMMPS takes a lot of time. Can ...