On the reliability of linear band structure methods

We discuss an efficiency of various band structure algorithms in determining the Fermi surface (FS) of the paramagnetic ErGa3. The linear muffin-tin orbital (LMTO) in the atomic sphere approximation (ASA) method and three full potential (FP) codes: FP-LMTO, FP linear augmented plane wave (FLAPW), and FP local orbitals (FPLO) methods are employed. Results are compared with electron-positron (e-p) momentum densities reconstructed from two dimensional angular correlation of annihilation radiation (2D ACAR). Unexpectedly, none of used modern FP codes is able to give satisfying description of the experimental data that are in perfect agreement with LMTO-ASA results. We suspect that it can be connected with a different choice of the linearization energy.Comment: 6 pages, 2 figure

Derecho a un ambiente sano, desarrollo y pueblos indígenas: ¿la perdida del último refugio?

Como es bien sabido el desarrollo se plantea como un derecho humano después de la segunda guerra mundial, aunque hay divergencia de criterios acerca del carácter vinculante de la normativa que lo proclama, se plantea como un derecho humano asociado a la libre determinación de los pueblos que “incluye el ejercicio de su derecho inalienable a la plena soberanía sobre todas sus riquezas y recursos naturales”]. De acuerdo al carácter estatocéntrico del sistema internacional, esto ha sido interpretado por los Estados como uno de los elementos de su plena soberanía y así se recoge en las Constituciones. Por su parte los pueblos indígenas mantienen su reclamo a la libre determinación como naciones y pueblos previos a la colonización de sus territorios y afirman su derecho ancestral irrenunciable de defender sus territorios, tierras y recursos estratégicos, que consideran base fundamental de su libre determinación. El problema radica en la ausencia de definición del termino “pueblo” y en el declarado rechazo gubernamental a la libre determinación ya que “los gobiernos por lo general desechan que los indígenas sean considerados como pueblos y también niegan que los indígenas sean poseedores de ese derecho. Aquí interviene el temor de muchos gobiernos de que el ejercicio de la libre determinación puede conducir a la secesión política y a la fragmentación de los estados existentes” y, podría añadirse, la negativa a una soberanía restringida o compartida en el manejo de los recursos para propiciar el desarrollo y los derechos de estos pueblos

Cancellation of probe effects in measurements of spin polarized momentum density by electron positron annihilation

Measurements of the two dimensional angular correlation of the electron-positron annihilation radiation have been done in the past to detect the momentum spin density and the Fermi surface. We point out that the momentum spin density and the Fermi Surface of ferromagnetic metals can be revealed within great detail owing to the large cancellation of the electron-positron matrix elements which in paramagnetic multiatomic systems plague the interpretation of the experiments. We prove our conjecture by calculating the momentum spin density and the Fermi surface of the half metal CrO2, who has received large attention due to its possible applications as spintronics material

Representasi Feminisme Dalam Karakter Pahlawan Perempuan Captain Marvel

Abstract — One of the film genres with an extraordinary development is film with the theme of heroism. Various film producer companies such as Marvel Entertainment, Warner Brothers, and Disney are competing to produce hero-themed films that always attract the attention of the audience. However, Marvel Entertainment has put more emphasis on male hero characters, until in 2019 there is a female hero character who has her own film, Captain Marvel. This is interesting because usually women in films are shown only as supporting characters for male heroes. Therefore, this study aims to see how feminism is represented in the character of Captain Marvel. This study will use Roland Barthes' Semiotics research method to see the symbols used to describe the values of Feminism displayed by this character, supported by Communication Theory and Feminism Theory related to mass media, especially films. The results showed that the character of Captain Marvel is depicted as a female figure who has greater strength than men and shows some values of radical and liberal feminism. In the film, Marvel Entertainment unfortunately has to show that Captain Marvel must have super power before recognized or considered superior to men.Keywords: Film, Feminism, Captain Marvel, Captain Marvel, Roland Barthes SemioticAbstrak — Salah satu genre film dengan perkembangan yang luar biasa adalah film yang bertemakan kepahlawanan. Berbagai perusahaan produsen film seperti Marvel Entertainment, Warner Brothers, hingga Disney berlomba-lomba menghasilkan film-film bertema kepahlawanan yang selalu menarik perhatian penonton. Namun selama ini Marvel Entertainment lebih menekankan pada tokoh-tokoh pahlawan pria, hingga pada tahun 2019 ada karakter pahlawan perempuan yang memiliki filmnya sendiri yaitu Captain Marvel. Hal ini menarik karena biasanya perempuan dalam film ditampilkan hanya sebagai karakter pendukung pahlawan pria. Karena itu penelitian ini bertujuan untuk melihat bagaimana representasi Feminisme dalam sosok karakter Captain Marvel. Penelitian ini akan menggunakan metode penelitian Semiotika Roland Barthes untuk melihat simbol-simbol yang digunakan untuk menggambarkan nilai-nilai Feminisme saja yang ditampilkan oleh karakter tersebut, didukung dengan Teori Komunikasi dan Teori Feminisme yang berkaitan dengan media massa terutama film. Hasil Penelitian menunjukkan bahwa karakter Captain Marvel digambarkan sebagai sosok perempuan yang memiliki kekuatan yang besar dari laki-laki dan menunjukkan beberapa nilai feminism radikal maupun liberal. Dalam film yang diteliti, Marvel Entertainment sayangnya harus menampilkan Captain Marvel memiliki kekuatan super terlebih dahulu untuk dapat diakui atau dianggap lebih hebat dari pria.     Kata Kunci: Film, Feminisme, Captain Marvel, Semiotika Roland Barthe

The change in public attitudes to danger and its implications for major projects

Nanotechnologies, GMOs, fracking, radioactivity… Modern societies are characterized by both the proliferation of risks and an increasing difficulty in assuaging public opinion. This article analyzes how perceptions of danger have evolved and identifies key questions when it comes to social acceptability of projects

Theoretical Study on Coexistence of Ferromagnetism and Superconductivity

On the basis of a two-dimensional t-t' Hubbard model in ferromagnetic and paramagnetic states, the triplet superconducting mechanism is investigated by the third-order perturbation theory with respect to the on-site Coulomb interaction U. In general, the superconducting state is more stable in the paramagnetic state than in the ferromagnetic state. As a special case, the dominant ferromagnetic superconductivity is obtained by the electron-electron correlation between the electronlike majority and holelike minority bands. Furthermore, it is pointed out that in some cases the two bands play an essential role for the coexistence of superconductivity and ferromagnetism.Comment: 5 pages, 10 figure

Toward the estimation of the absolute quality of individual protein structure models

Motivation: Quality assessment of protein structures is an important part of experimental structure validation and plays a crucial role in protein structure prediction, where the predicted models may contain substantial errors. Most current scoring functions are primarily designed to rank alternative models of the same sequence supporting model selection, whereas the prediction of the absolute quality of an individual protein model has received little attention in the field. However, reliable absolute quality estimates are crucial to assess the suitability of a model for specific biomedical applications. Results: In this work, we present a new absolute measure for the quality of protein models, which provides an estimate of the ‘degree of nativeness' of the structural features observed in a model and describes the likelihood that a given model is of comparable quality to experimental structures. Model quality estimates based on the QMEAN scoring function were normalized with respect to the number of interactions. The resulting scoring function is independent of the size of the protein and may therefore be used to assess both monomers and entire oligomeric assemblies. Model quality scores for individual models are then expressed as ‘Z-scores' in comparison to scores obtained for high-resolution crystal structures. We demonstrate the ability of the newly introduced QMEAN Z-score to detect experimentally solved protein structures containing significant errors, as well as to evaluate theoretical protein models. In a comprehensive QMEAN Z-score analysis of all experimental structures in the PDB, membrane proteins accumulate on one side of the score spectrum and thermostable proteins on the other. Proteins from the thermophilic organism Thermatoga maritima received significantly higher QMEAN Z-scores in a pairwise comparison with their homologous mesophilic counterparts, underlining the significance of the QMEAN Z-score as an estimate of protein stability. Availability: The Z-score calculation has been integrated in the QMEAN server available at: http://swissmodel.expasy.org/qmean. Contact: [email protected] Supplementary information: Supplementary data are available at Bioinformatics onlin

Assessing the local structural quality of transmembrane protein models using statistical potentials (QMEANBrane)

Motivation: Membrane proteins are an important class of biological macromolecules involved in many cellular key processes including signalling and transport. They account for one third of genes in the human genome and >50% of current drug targets. Despite their importance, experimental structural data are sparse, resulting in high expectations for computational modelling tools to help fill this gap. However, as many empirical methods have been trained on experimental structural data, which is biased towards soluble globular proteins, their accuracy for transmembrane proteins is often limited. Results: We developed a local model quality estimation method for membrane proteins (‘QMEANBrane') by combining statistical potentials trained on membrane protein structures with a per-residue weighting scheme. The increasing number of available experimental membrane protein structures allowed us to train membrane-specific statistical potentials that approach statistical saturation. We show that reliable local quality estimation of membrane protein models is possible, thereby extending local quality estimation to these biologically relevant molecules. Availability and implementation: Source code and datasets are available on request. Contact: [email protected] Supplementary Information: Supplementary data are available at Bioinformatics onlin

Independent Work Placements As A Getway To The World Of Work

Small to Medium-sized Enterprises (SMEs), a wide range of other languages are used. Every language is an asset. The most commonly spoken languages across enterprises of all sizes in the UK are French, German and Spanish, the ..