WebQuantum ESPRESSO Is an integrated suite of Open-Source computer codes for …
List of domain same IP 51.77.118.191
It is based on Density Functional Theory, plane wave basis sets, and pseudo-potentials. Documentation for Quantum Espresso can be found on its official website.
Where can I download quantum Espreso?Quantum ESPRESSO is freely available and can be downloaded from the Quantum ESPRESSO home page. See the preceding link for more resources, including documentation for building the code and preparing input files, tutorials, pseudopotentials, and auxiliary software.
How do I switch between Quantum ESPRESSO and other modules?Within the Amsterdam Modeling Suite it is also easy to switch between Quantum ESPRESSO and any of our other modules, such as the atomic orbital-based periodic DFT code BAND. Plane-wave periodic codes such as Quantum ESPRESSO are usually fast for dense many-electron systems by virtue of the pseudopotential or projector-augmented wave approximation.
Should I run Quantum ESPRESSO in full MPI mode?For all routines except pw.x, run Quantum ESPRESSO in full MPI mode as there is currently no efficient OpenMP implementation available. We have optimized the hybrid DFT calculations in Quantum ESPRESSO ( pw.x ). These changes are described in our Quantum ESPRESSO case study.
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Domain infomation | Domain Name: quantum-espresso.org
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