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| 1 | Towards fully automated GW band structure calculations:What we can learn from 60.000 self-energy evaluationsTowards fully automated GW band structure calculations:What we can learn from 60.000 self-energy evaluations显示文摘We analyze a data set comprising 370 GW band structures of two-dimensional(2D)materials covering 14 different crystal structures and 52 chemical elements.The band structures contain a total of 61716 quasiparticle(QP)energies obtained from plane-wavebased one-shot G0W0@PBE calculations with full frequency integration.We investigate the distribution of key quantities,like the QP self-energy corrections and QP weights,and explore their dependence on chemical composition and magnetic state.The linear QP approximation is identified as a significant error source and we propose schemes for controlling and drastically reducing this error at low computational cost.We analyze the reliability of the 1/N basis set extrapolation and find that is well-founded with a narrow distribution of coefficients of determination(r^(2))peaked very close to 1.Finally,we explore the accuracy of the scissors operator approximation and conclude that its validity is very limited.Our work represents a step towards the development of automatized workflows for high-throughput G0W0 band structure calculations for solids. | Asbjørn Rasmussen Thorsten Deilmann Kristian SThygesen | 2021 | npj Computational Materials2021，，1： | 2 |
| 2 | Pulsed microwave plasma polymerization of silicon oxide films: application of efficient permeation barriers on polyethylene terephthalate 显示文摘 | Deilmann M Theib S Awakowicz P | 2008 | Surface ~ Coatings Technology2008，202，10： | 1 |
| 3 | Permeation mechanisms of pulsed microwave plasma deposited silicon oxide films for food packaging applications 显示文摘 | Deilmann M Grabowski M Theib S | 2008 | Journal of Physics D: Applied Physics2008，41，13： | 1 |
| 4 | 查看详情显示文摘 | Deilmann M Theiβ S Awakowicz P | | 0，，： | 1 |
| 5 | 查看详情显示文摘 | Deilmann M Grabowski M Theiβ S | | 0，，： | 1 |
| 6 | Pulsed Microwave Plasma Polymerization of Silicon Oxide Films: Application of Efficient Permeation Barriers on Polyethylene Terephthalate 显示文摘 | DEILMANN M SEBASTIAN T AWAKOWICZ P | 2008 | Surface and Coating Technology2008，202，10： | 1 |
| 7 | 爱上一座城市德国Factory酒店显示文摘明斯特是德国北莱茵威斯特法伦州北部的一座集古典建筑艺术和自然田园风光于一体的美丽古城,它以二战后重建的老城区而闻名.而近些年,老城似乎逐渐告别了往日的繁华,沉静下来.土生土长的设计师David Deilmann对于这座城市的热爱很难用语言来形容,更心疼这座城市传统影响力的减弱,心疼没人愿意再来到这里,欣赏自文艺复兴时期就存在的古老风貌,David决心为爱的这座城市做些什么.虽然大学主修的是法学和广告,但作为知名建筑师的孙子,David对建筑一直情有独钟.机缘巧合,明斯特日耳曼尼亚啤酒厂的改造计划落到了David的手中. | david deilmann coco(编译) | 2016 | 室内设计与装修2016，0，7： | 0 |
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