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Hi, Is is possible to convert an output file of QE to VASP's OUTCAR? All recommendations are appreciated.
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Dear all, I have calculated necessary parameters including elastic constants, specific heat, equilibrium lattice constants, cohesive energies, migration and formation energies of defects and ......
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Greetings, A quick guide to access Zr-H and Zr-He (hydrogen and helium diffusion in Zr) eam/fs potentials suitable for LAMMPS will be appreciated. Regards Afshin
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Deal all, I want to calculate defect properties (i.e. formation energies and migration barriers, ...) in vanadium using DFT- Quantum Espresso, and I am wondering which of the available...
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