VASP发布一种新泛函SCAN MetaGGA 转载 VASP即将发布一种新泛函SCAN MetaGGA。 功能介绍： 新泛函在诸多方面超越了LDA和PBE-GGA，在一些方面达到甚至超越了杂化泛函的可靠性，对弱相互作用体系优于LDA和PBE-GGA，计算量能与LDA和GGA相媲美，然而，SCAN的收敛性可能比GGA差。 发布时间：2017.4.18 参考文献: PRL115，036402（2015）及Nature Chemistry (2016) doi: 10.1038/nchem.2535 https://journals.aps.org/prx/pdf/10.1103/PhysRevX.6.041005 1. 介绍： The SCAN meta GGA has been shown15 to be superior to the PBE GGA for some standard molecular test sets and a small collection of solids. The mean absolute errors for SCAN15 are smaller than those for PBE by a factor of about 4 for the atomization energies of the 223 G3 molecules, a factor of 3 for the binding energies of the S22 set of weakly bound dimers of small molecules, and a factor of 4 for the LC20 set of lattice constants for solids. SCAN is also more accurate, by about 30%, in predicting the BH76 energy barriers to chemical reactions. Future studies will also show that the mean absolute errors of SCAN for the heats of formation of 94 binary solids are smaller than those of PBE by about 30%, or a factor of 3, for compounds with or without transition-metal elements, respectively. However, this Article shows that SCAN has an unexpected and striking performance for diversely bonded systems, many of which were believed to be out of reach of semilocal functionals, and is comparable to or even more accurate than a computationally more expensive hybrid GGA. 2. 如何在vasp5.4.4中实现scan+rVV10看下面链接： https://sites.google.com/site/haoweipeng/softwares
read.table has a limit for length of each element of type character. While scan do not. if a file contain something like this: 001001000010100101010001000000100000011000101110000010010111000000100001011011011111000000110100100110100100 It's better to use data - scan(file = filename, sep = , what = character)
Consider these questions: • How is a seeker of building documentation services to determine who is best qualified to perform such services? • Where can service providers go to find information on best practices, standards and guidance on establishing, maintaining and growing a professional practice? • And where does one go to tap into forums or networks of like-minded professionals for support and sharing of ideas and information? To address these issues, in 2012 the U.S. Institute of Building Documentation (USIBD) was founded by a group of industry leaders with a desire to provide support and bring answers to these questions to this industry. Its mission is to further the excellence of building documentation by promoting, educating, guiding and supporting stakeholders with an interest in the built environment in a way that cultivates networking and information sharing. It is an organization solely dedicated to promoting and furthering the Building Documentation profession within the United States. The USIBD’s mission is to promote and facilitate: • Building Documentation as a distinct industry; establishing standards, guidelines and best practices to foster excellence in the productivity, quality and safety of the documentation process • The codification of ethical practices to support and further the growing network of professionals dedicated to Building Documentation • To encourage cooperation and the exchange of information among documentation professionals who are responding to growing interest in building documentation by owners/operators, service providers, government agencies, and the public • To establish and promote a "Certified Building Documentation Professional" certification (CBDP) • To serve as a core educational resource dedicated to the pioneering technology of the Building Documentation industry • And to recognize individuals for outstanding dedication and service to the building documentation profession In its effort to help bring the various stakeholder groups together the USIBD already is partnering with other leading industry organizations, such as the Associated General Contractor’s BIM Forum, the buildingSMARTalliance (bSa), the non-profit organization CyArk, which is dedicated to digitally preserving cultural heritage sites by collecting, archiving and providing of open access to recorded data created by laser scanning, digital modeling, and other state-of-the-art technologies, and The SPAR Point Group, a 3D imaging technologies conference organizer and information resource. For more information on the USIBD please see the USIBD web site at www.usibd.org. This is an important period of new technology implementation for the construction industry and all stakeholders have a responsibility to help make sure we get it right.
Literature review is a basic skills for an active researcher. However, it could be very time-consuming even if you only follow a few important journals in biophysics. So in our group, we have a collective Journal scan - Everybody makes contributions, everybody gets rewards. We assign the important journals to different person. Then they were put together in our Wiki website. Biophysics Journal Scan in Janurary, 2009 Journal scan - 200901 It is quite interesting to use tug-of-war model to explain how many molecular motors are working on the microtubules. Zhang's model here gives another example how some critical cell processes could be expalined as an emergence of colletive properties of a system. There is an interesting paper to talk about how a plant cell is polarized in journal nature. In PNAS, Huang in Princeton publisheda paper to build a model to explain how cell shape is determined. END
Literature review is a basic skills for an active researcher. However, it could be very time-consuming even if you only follow a few important journals in biophysics. So in our group, we have a collective Journal scan - Everybody makes contributions, everybody gets rewards. We assign the important journals to different person. Then they were put together in our Wiki website. Biophysics Journal Scan in December, 2008 Journal scan - 200812 Stochastic dynamics of genetic networks is really an interesting topic. It is always a puzzle how exactly same genome in bateria can produce totally different phenotpyes. I saw that different researchers have done experiments and build stochastic models to explain this. In Bioinformatics, there is a paper to give their ideas. Some papers about mechanical properties of cell cytoskeletons are interesting in Biophysical journal. There are several papers about motor molecules in Cell journal. Since several new guys doing neuron research come into journal scan team, you would find quite a lot papers in this field.
Literature review is a basic skills for an active researcher. However, it could be very time-consuming even if you only follow a few important journals in biophysics. So in our group, we have a collective Journal scan - Everybody makes contributions, everybody gets rewards. We assign the important journals to different person. Then they were put together in our Wiki website. Biophysics Journal Scan in September, 2008 Journal scan - 200809 a nice paper from Oudenaarden in MIT discuss the relationship between Nature and Nurture. I just went to his seminar last week. I may write more about his research. Fig.1 May be you can also publish a paper by gazing at Google Earth. :-) An interesting paper published in PNAS discussed how he find the cow and sheep oriented themselves along the magnetic field of the earth. :-) END
Literature review is a basic skills for an active researcher. However, it could be very time-consuming even if you only want to follow some important journals in biophysics. So in our group, we have a collective Journal scan - Everybody makes contributions, everybody get rewards. We assign the important journals to different person. Then they were put together in our Wiki website. Here is the . Biophysics Journal Scan in Febury, 2008 Link: Journal scan - 200802 There are several interesting papers about gene Expression in Nature. Biophysics Journal Scan in April, 2008 Link:Journal scan - 200804 Nowak had an interesting paper called Winner don't punish. Several Chiense researchers in US did some experiments to use DNA to self-assemble into some regular structures. Biophysics Journal Scan in May, 2008 Link:Journal scan - 200805 some nice papers about proteins in arXiv. In Biophysical Journal there is good paper about cytoskeletal bundle mechanics. In Nature, there is paper to mention a new way of cell mobility. In Nature Neronscicen, a pre-cursor of spiking, signal transmission in brain, is found. Biophysics Journal Scan in June, 2008 Link:Journal scan - 200806 In BioInformatics, some nonlinear interaction of gene regulation network is revealed. In Biophisical Journal, a new quantitive model for RNA polymerase is built. Elisabeth, a Phd in our group, had her paper of cellsurface wave published in Science. When she presented herresearch, everybody applausedto show our congratulation to her :-) END
标签: Scan
