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[交流]
quantum_espresso 百度貼吧 已有3人參與
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quantum_espresso 吧 http://tieba.baidu.com/f?kw=quantum_espresso |
新蟲 (小有名氣)

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開源的第一性原理計算程序 9月24日發(fā)布5.2.1 ,增加了3項功能,修正了一些功能和錯誤 New in 5.2.1 version: * svdW-DF, a proper spin version of vdW-DF (PRL 115, 136402 (2015); courtesy of Timo Thonhauser) * XSpectra: various improvements, extension to L_23 edges * ESM: various improvements, constant-bias (PRL 109, 266101 (2012)) calculations for both pw.x and neb.x (courtesy of Minoru Otani) http://qe-forge.org/gf/project/q ... p;frs_package_id=18 |
新蟲 (初入文壇)
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