Miracle-dz/UniFAR-FTUs huggingface dataset:
Second-principles method for materials simulations including electron and lattice degrees of freedom

We present a first-principles-based (second-principles) scheme that permits large-scale materials simulations including both atomic and electronic degrees of freedom on the same footing. The method is based on a predictive quantum-mechanical theory---e.g., density functional theory---and its accuracy can be systematically improved at a very modest computational cost. Our approach is based on dividing the electron density of the system into a reference part---typically corresponding to the system's neutral, geometry-dependent ground state---and a deformation part---defined as the difference between the actual and reference densities. We then take advantage of the fact that the bulk part of the system's energy depends on the reference density alone; this part can be efficiently and accurately described by a force field, thus avoiding explicit consideration of the electrons. Then, the effects associated to the difference density can be treated perturbatively with good precision by working in a suitably chosen Wannier function basis. Further, the electronic model can be restricted to the bands of interest. All these features combined yield a very flexible and computationally very efficient scheme. Here we present the basic formulation of this approach, as well as a practical strategy to compute model parameters for realistic materials. We illustrate the accuracy and scope of the proposed method with two case studies, namely, the relative stability of various spin arrangements in NiO (featuring complex magnetic interactions in a strongly-correlated oxide) and the formation of a two-dimensional electron gas at the interface between band insulators ${\mathrm{LaAlO}}_{3}$ and ${\mathrm{SrTiO}}_{3}$ (featuring subtle electron-lattice couplings and screening effects). We conclude by discussing ways to overcome the limitations of the present approach (most notably, the assumption of a fixed bonding topology), as well as its many envisioned possibilities and future extensions.
2 . 2 Organisational restructuring and the psychological contract

The aim of this study was to investigate organisational commitment in an organisation that had recently experienced organisational restructuring (a merger). The psychological contract that exists between employees and organisations is brittle due to many organisational changes that stem from organisational restructuring. When psychological contracts are breached, employees may experience reduced commitment to the organisation. The target population for this study consisted of all employees working at three recently-merged higher education institutions in the Nelson Mandela Metropolis (n=100) and a selfadministered questionnaire was distributed amongst staff. The results indicated that an increase in the number of positive human resource management (HRM) practices reported by respondents correlated with a decrease in violation and breach of the psychological contract, despite organisational restructuring. It was further revealed that effective management of the psychological contract is crucial during organisational restructuring, in order to maintain the commitment and loyalty of employees.
Perceptions of teachers on creating space for code switching as a teaching strategy in second language teaching in the Eastern Cape province, South Africa

This research reports on the findings regarding the perceptions of teachers towards creating space for the use of code switching as a teaching strategy in Afrikaans learning and teaching in the isiXhosa-speaking environments of the Transkei region. The aim of this investigation was to establish whether or not code switching can be used as a teaching strategy. A sample of 13 teachers from 12 schools was purposefully selected. A qualitative approach was used. Interviews and semi-structured questionnaires were used for data collection. The teachers admitted that they code switch during Afrikaans classes. It also transpired that teachers perceived code switching as the best way to facilitate understanding. The recommendations postulate a gradual move from a high tolerance of code switching in the lower classes to a low tolerance thereof in higher classes.
A TIMING ANALYSIS OF LEVEL-CLOCKED CIRCUITRY

This paper presents an algorithm for verifying proper timing in VLSI circuits where latches are controlled by the levels (high or low) of the controlling clocks rather than the transitions (edges) of the clocks. Such level-clocked circuits are frequently used in MOS VLSI design. A level-clocked circuit is modeled as a graph G = (V, E), where V consists of components -- latches and functional elements --and E represents intercomponent connections. The algorithm verifies the proper timing of a circuit in worst-case O (|V ||E |) time and O (|V | + |E |) space. Our analysis decouples the problem of generating timing constraints from the problem of efficiently checking them. We show how various "base step" functions can be used to provide sufficient conditions for a circuit to operate properly, and we provide a new base step function which is less pessimistic than those used in previous timing verifiers, yet correctly handles timing constraints that are "cyclic" or extend across the boundaries of multiple clock phases or cycles. The base step function is used to derive a "computational expansion" of the circuit from which a collection of simple linear constraints are derived. These constraints can be efficiently checked using standard graph algorithms.
Classical versus free domains of attraction

The domains of attraction of stable laws in Voiculescu’s free probability theory are determined, and they are compared with the corresponding domains of attraction in classical probability theory. It is shown that each free domain of attraction is equal to some classical domain of attraction, but the corresponding attracting laws are quite different. Conversely, every classical domain of attraction occurs as a free domain of attraction. Denote by M the family of all probability measures defined on the real line R. Two measures μ, ν in M will be said to be equivalent if there exist real numbers a, b, with a > 0, such that μ(σ) = ν(aσ + b) for every Borel set σ ⊂ R. We will write μ ∼ ν if μ and ν are equivalent, and we denote by [ν] the equivalence class of ν. On the set M there are defined two associative composition laws denoted ∗ and . The measure μ ∗ ν is the classical convolution of μ and ν. In probabilistic terms, μ ∗ ν is the probability distribution of X + Y , where X and Y are (commuting) independent random variables with distributions μ and ν, respectively. The measure μ ν is the free (additive) convolution of μ and ν introduced by Voiculescu [10] (for compactly supported measures; free convolution was extended by Maassen [7] to measures with finite variance and by Bercovici and Voiculescu [2] to the whole class M). Thus, μ ν is the probability distribution of X + Y , where X and Y are free random variables with distributions μ and ν, respectively. An important class of measures occurs in connection with the study of the limit laws of probability. A measure μ which is not a point mass will be said to be ∗-stable (resp. -stable) if for every ν1, ν2 ∈ M such that ν1 ∼ μ ∼ ν2 it follows that ν1 ∗ ν2 ∼ μ (resp. ν1 ν2 ∼ μ). The stable measures were determined by Lévy (cf. [5]) in the classical context and by Bercovici and Voiculescu [2] in the context of free convolution. Received September 29, 1995. The first author was partially supported by a grant from the National Science
TESTING HOMOGENEITY WITH GALAXY STAR FORMATION HISTORIES

Observationally confirming spatial homogeneity on sufficiently large cosmological scales is of importance to test one of the underpinning assumptions of cosmology, and is also imperative for correctly interpreting dark energy. A challenging aspect of this is that homogeneity must be probed inside our past light cone, while observations take place on the light cone. The star formation history (SFH) in the galaxy fossil record provides a novel way to do this. We calculate the SFH of stacked luminous red galaxy (LRG) spectra obtained from the Sloan Digital Sky Survey. We divide the LRG sample into 12 equal-area contiguous sky patches and 10 redshift slices (0.2 < z < 0.5), which correspond to 120 blocks of volume ∼0.04 Gpc3. Using the SFH in a time period that samples the history of the universe between look-back times 11.5 and 13.4 Gyr as a proxy for homogeneity, we calculate the posterior distribution for the excess large-scale variance due to inhomogeneity, and find that the most likely solution is no extra variance at all. At 95% credibility, there is no evidence of deviations larger than 5.8%.
ONE BIG HAPPY ENGINEERING FAMILY? THE INFLUENCE OF PSYCHOLOGICAL CONTRACTS ON TEAM OUTCOMES AND THE MEDIATING ROLE OF PERSON-TEAM FIT

Teamwork is frequently used to tackle complex and demanding tasks in organizational and educational settings. While teamwork may offer substantial benefits, the challenges of working effectively in teams are considerable. This study examines the roles of psychological contract breach and person-team fit in relation to teams’ effectiveness. Twelve teams of electrical and computer engineering students were surveyed at three time points to assess their perceptions of personteam fit and psychological contract breach. Results of a longitudinal mediation model supported our hypotheses that team level psychological contract breach would result in decreased supplementary fit and increased complementary fit. Regarding team outcomes, we found that perceptions of supplementary fit increased team member peer feedback ratings, while perceptions of complementary fit increased team potency. Follow-up analyses revealed that psychological safety was positively related to psychological contract breach. Implications for practice are discussed.
Different Levels of Licorice ( Glycyrrhiza glabra ) Medicinal

Medicinal plants and their extracts and essential oils have a wide range of effects, including inhibitory action on pathogens, effects on physio-pathologies and activity in different body systems, e.g. endocrine and immune system (Francois, 2006). In poultry, herbs and spices are not just appetite and digestion stimulants, but can have an impact on other physiological functions, help to sustain good health and welfare and improve performance (Frankic et al. 2009). In recent years the use of various forms of medicinal plants in poultry has been increased. Licorice (Glycyrrhiza glabra) is one of the most important medicinal plant that has been used for 4000 years for various applications in human and animals. Licorice is a perennial herb belonging to the legume family (pea family) and is native to Asia. So, it can easily grow in different regions such as south central Russia, Asia, including Iran. It contains different chemically active compounds such as glycyrrhizin acid mixed with potassium and calcium salts, glabridin and also glycyrrhetinic acid (enoxolone). However, the main active secondary substances of licorice is glycyrrhizin. Glycyrrhizin can be found in different parts of licorice, but the root contains the highest amount of this An experiment was conducted to evaluate the effects of different levels of licorice powder (LP) in diet on performance, egg traits and some serum biochemical parameters of laying hens in the late laying period. Totally 180 Hy-Line W-36 layer hens aged 55-68 weeks with similar weight were selected and assigned to 5 treatments, 3 replicates and 12 hens in each replicate in a completely randomized design. Experimental groups included 1) basal diet (without LP), 2, 3, 4 and 5) basal diet supplemented with 0.5, 1.0, 1.5 and 2.0% of LP, respectively. The results showed that the use of different levels of LP significantly affected the performance and egg traits of laying hens (P<0.01). The highest performance for egg production (60.96%), egg weight (61.50 g), egg mass (37.60 g) and the best feed conversion ratio (2.93) was achieved with 2% LP treatment. The amount of daily feed intake was not affected by dietary treatments. The highest amounts of yolk weight (29.43%), egg shell thickness (0.366 mm), haugh unit (74.79) and yolk color index (4.78) were obtained using 2% LP diet. Licorice powder supplementation in the diets of hens did not significantly alter the serum blood parameters compared to the control (P>0.05). It can be concluded that in laying hens in late laying period, using 2.0% of Licorice powder, without having any significant effects on serum biochemical parameters, can improve their performance and egg traits.
Associação entre a carga de trabalho agrícola e as dores relacionadas

Objective To analyze the association between workload of farm work and pains attributed by farm workers. Methods This cross-sectional study included 259 farm workers from two rural scenarios. A validated research instrument was used to assess the workload. Results Two pairs, sale of products and sore feet and also tillage and low back pain, showed the highest values for association. Farm workers who had pain had high workload. In addition, workload was significant for farm workers who exhibited stress, anxiety, and disorder in the sleep-wake cycle. Conclusion Workload arising from the process of farm work influence farm workers health and may lead them to show emotional and physical wear, causing pain and possible work-related disorders and diseases.
Employer Size and Labor Turnover

This paper investigates the causes of higher tenure, and lower turnover, for workers at large plants or firms. The primary hypothesis investigated is that long-term employment relationships in large plants and firms stem from (1) the greater capacity of large employers to provide job opportunities within the enterprise and (2) the lower probability of business failure facing large producers. In addition to directly lowering turnover, these effects on average employment duration act to raise the expected returns from on-the-job training, resulting in higher levels of on-the-job training that in turn inhibit turnover. Furthermore, in order to protect these training investments, remuneration is characterized by mobility inhibiting wage premia and fringe benefits, and firms attempt to hire employees with lower mobility tendencies both practices act to further reduce mobility. In addition to empirically evaluating the above view of the manner in which size of employer influences mobility outcomes, three additional factors are investigated that may account for the link between size and mobility, (1) working conditions, (2) monitoring difficulties, and (3) union organization threats.
The role of hormonal treatment in type 2 diabetes mellitus

License. The full terms of the License are available at http://creativecommons.org/licenses/by-nc/3.0/. Non-commercial uses of the work are permitted without any further permission from Dove Medical Press Limited, provided the work is properly attributed. Permissions beyond the scope of the License are administered by Dove Medical Press Limited. Information on how to request permission may be found at: http://www.dovepress. com/permissions.php Research and Reports in Endocrine Disorders 2015:5 31–45 Research and Reports in Endocrine Disorders Dovepress
J ul 2 01 2 Radically solvable graphs Bill Jackson

A 2-dimensional framework is a straight line realisation of a graph in the Euclidean plane. It is radically solvable if the set of vertex coordinates is contained in a radical extension of the field of rationals extended by the squared edge lengths. We show that the radical solvability of a generic framework depends only on its underlying graph and characterise which planar graphs give rise to radically solvable generic frameworks. We conjecture that our characterisation extends to all graphs. 2010 Mathematics Subject Classification: 05C10, 12F10, 52C25, 68R10.
Transition strategies in Central Asia: is there such a thing as "schock-versus-gradualism"

This paper intends to scrutinize "shock-versus-grad ualism" in five Central Asian Transition Countries (CATC(5)): Kyrgyzstan, Kazakhstan, Tajikistan, Turkmenistan and Uzbekistan. It seeks to underline the argument that the labels attached to transition countries have often been erroneous, sin ce it only makes sense to speak of "shock" or "gradual" i f one includes the type of reform that is under scrutiny. The "shock-versus-gradualism debate" also leads to the old discussion on whether it is legac y or policy that counts. As far as legacy of the CATC(5) is concerned, this paper argues that it is not onl y the legacy of economic order but also (or rather) that of natural conditions. This legacy blurs the discus sion on economic performance, since rising prices for energ y have given impetus to economic growth, but at the same time will endanger the sustainability of that growth due to what became known as the Dutch disease.
Multilevel inverter switching controller using a field programmable gate array (FPGA)

This paper presents the design and development of a switching controller using a field programmable gate array (FPGA)for a multilevel inverter application. SHE with PSO switching strategy was chosen and pre-calculated offline to obtain optimized switching angles for the power switches in the 5-level transistor-clamped H-bridge (TCHB) multilevel inverter. The designed switching controller produced 5-bit control signals, which connected to the power switches of the 5-level TCHB multilevel inverter. The switching controller utilized less than 1% of the total FPGA logic elements (LEs), which was equivalent to 96 out of 114,480 LEs. The execution speed of the switching controller using the FPGA chip was found to be 99.9% faster than microcontroller (PIC16F877A). Conducted simulation and measurement results verified and validated the switching controller design functionality and requirement. Keywords : multilevel inverter, switching controller; FPGA, general purpose processor (GPP);digital signal processing (DSP); IGBT; Verilog, power consumption; harmonic elimination (SHE).
Competition and other factors influencing the population dynamics of Aphis gossypii and Macrosiphoniella sanborni on greenhouse chrysanthemums

Competition and other factors influencing the population dynamics of Aphis gossypii and Macrosiphoniella sanborni on greenhouse chrysanthemums were studied. Single- and mixed-species populations after an accelerated growth period, reached a moderately stable equilibrium phase. Removal of alate forms, which simulated dispersal, reduced the rate of population growth, but did not stabilize the populations. Because they were strongly influenced by aphid density, the main population regulating agents were aphid size (related to birth rate), and leaf mortality (related to death rate). Another indirect, regulating factor was high temperature, which killed more of the older leaves when they were infested with high aphid densities. Although Myzus persicae is the major aphid pest of greenhouse chrysanthemums in California, this study suggests that, in the absence of insecticides, M. sanborni and A. gossypii are better adapted to chrysanthemums.
Effects of Intra-Talker Differences on Speech Understanding in Noise by Younger and Older Adults

The purpose of the study was to investigate the effects on intelligibility when listening to a talker whoproduced speech while being exposed to different types and levels of noise. In addition, we alsoinvestigated how the word identification performance of younger and older listeners for these conditionswas affected in different listening environments. A male young adult talker recorded the SPIN-R test whilelistening to different types and levels of noise and following different speaking instructions. Younger andolder adults with clinically normal hearing from 250 to 3000 Hz were tested on these recordings in threesignal-to-noise ratios. Significant word recognition differences were found between the standard talkingcondition and loud speech recorded in quiet, despite the fact that all sentences were equated for overallintensity. Older listeners found speech produced in noise beneficial when there was more backgroundnoise, but younger listeners did not. Clear speech in this study did not produce any benefit for listenersrelative to the baseline condition. Acoustic analyses showed that intensity fluctuations within the sentencesled to a higher intensity for target words in the loud speech condition relative to all other conditions, whiletarget words in clear speech had a lower fundamental frequency compared to other conditions. Listenerperformance may change on a test of speech intelligibility when speech is produced under moreecologically valid conditions; however, these effects are small and may be more apparent in older adultsand when task difficulty is greater due to lack of contextual support and higher levels of background noise.
There is a space for the pharmacologic treatment of arrhythmias

XXI Century finds us with a change in the paradigm of cardiac arrhythmias treatment. Given that sudden death is caused by severe ventricular arrhythmias, and cerebrovascular accidents (CVA) are caused by severe incapacitating or fatal supraventricular arrhythmias – atrial fibrillation – it was natural to suppose that antiarrhythmic drugs could reduce such mortality. I refer to those antiarrhythmic drugs we have for over 40 years and are still the same and are classified with Vaughan & Williams scheme (Table 1). Some of those drugs, as dofetilide, did not appear in the Argentine market and others, as mexiletine had disappeared. Things changed over the years, and at the end of the eighties and early nineties, CAST, a multicentric study with more than 1400 patients listed to assess the usefulness of the administration of antiarrhythmic drugs in post-myocardial infarction patients, showed that instead of reducing mortality given the antiarrhythmic effectiveness of the used drugs (flecainide, moricizine, encainide), it was significantly increased. The study was interrupted with a placebo significant advantage. (1) Large multicenter studies which showed the uselessness of antiarrhythmic drugs to reduce mortality, especially sudden death, appeared. Studies such as MUSTT (2) did it with more accuracy selecting the drugs according to the effectiveness through electrophysiological inducibility. This selection allowed better results than placebo use, but did not reduce mortality compared with the automatic implantable cardioveter-defibrillator (AICD). Since then, a large number of studies were performed, so from 1993 to 2008 AICD implantation increased 20-fold. Only two studies, CABG-Patch and Dinamit, showed that the drugs were more effective in reducing mortality, in one case because myocardial revascularization was more effective, and in the other case due to its early implantation in relation to the AMI. Even the most effective antiarrhythmic drug -amiodarone-, though with more undesirable side effects, showed in large studies as SCD-Heft that it was as effective as placebo in the primary prevention of total mortality, provided that all the patients were well treated, particularly with beta-blockers. (3)