Reply to ‘comment on “extending Hirshfeld-I to bulk and periodic materials”’

Extending Hirshfeld-I to bulk and periodic materials

In this work, a method is described to extend the iterative Hirshfeld-I method, generally used for molecules, to periodic systems. The implementation makes use of precalculated pseudopotential-based electron density distributions, and it is shown that high-quality results are obtained for both molecules and solids, such as ceria, diamond, and graphite. The use of grids containing (precalculated...

Reply to I. Petropavlovskikh’s interactive comment

morphology, geochemistry, mineralogy, and micromorphology of soils of hormozgan province in relation to parent materials

ویژگی های زمین شیمیایی، کانی شناسی، و میکرومورفولوژیکی خاک ها و سنگ مادر مربوطه در منطقه بین بخش های جنوبی زاگرس و خلیج فارس تا دریای عمان(استان هرمزگان، ایران) مورد بررسی قرار گرفت. هدف های این مطالعه شناسایی تغییرات در خصوصیات فیزیکی، شیمیایی، و ترکیب کانی شناسی خاک، مطالعه میکرومورفولوژی و تکامل خاک، و بررسی توزیع عنصر خاک بر اساس هوازدگی، پروسه های خاک و زمین شناسی جهت توصیف اثرات مواد مادر...

iranian english learners’ perception and personality: a dual approach to investigating influential factors on willingness to communicate

abstract previous studies on willingness to communicate (wtc) have shown the influence of many individual or situational factors on students’ tendency to engage in classroom communication, in which wtc has been viewed either at the trait-level or situational level. however, due to the complexity of the notion of willingness to communicate, the present study suggests that these two strands are ...

Reply to the Comment

In the comment [1], Zanardi and Rasetti argue that several claims in our recent letter [2] are questionable. Here we show these claims remain true. Our points are that (i) the Hamiltonian (1) in Ref. [2] describes amplitude damping as well as phase damping; (ii) the free-Hamiltonian-elimination (FHE) has feasible implementation in practice and there exists a simple FHE procedure which is design...