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| 【有獎交流】積極回復(fù)本帖子,參與交流,就有機(jī)會分得作者 漫天飄雪 的 5 個金幣 ,回帖就立即獲得 1 個金幣,每人有 1 次機(jī)會 | |||
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[交流]
New in 7.0 version of Quantum ESPRESSO
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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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