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漫天飘雪

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[交流] New in 7.0 version of Quantum ESPRESSO

New in 7.0 version:
GPU support for PWscf and CP significantly extended
RMM-DIIS for CPU (S. Nisihara) and GPU (E. de Paoli, P. Delugas)
DFT-D3: MPI parallelization and GPU acceleration with OpenACC
projwfc.x can be used to compute the PDOS in a local basis (I. Timrov)
Charge self-consistent DFT+DMFT calculations with the TRIQS software package
via Wannier90 (S. Beck, CCQ Flatiron Institute)
EPW:
(1) Addition of spectral decomposition capability in the transport module
(2) Support for the frmsf file format of FermiSurfer
(3) The cumulant module updated
For the full list of new features, bug fixes, and changes leading to backward incompatibility issues,
please visit the Releases page of the EPW documentation site [https://docs.epw-code.org/doc/Releases.html].

https://github.com/QEF/q-e/releases/tag/qe-7.0

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