15 Questions 33 Answers 0 Followers
Questions related from M. A. Hadi
Does Gibbs 2 take into account both lattice and electronic contributions to the specific heat Cp ?
24 April 2024 2,241 0 View
Regarding electronic structure is there any relation to reduction of lattice constants and GGA approach?
27 October 2020 8,788 5 View
Generally, VBM lies at a high symmetry point on the Fermi level. Please explain the situation mentioned in the question. If possible please provide the references. Thanks in advance.
22 July 2020 6,011 6 View
How does the position and height of a peak due to hybridization of two orbitals of two atoms in the plot of the total DOS a compound measure the strength of the bond associated with these atoms?
23 May 2020 2,143 6 View
Three-dimensional Stereogram of shear modulus and Poisson's ratio, visualized with ELATE code for a single compound, shows two plots: one is green and other is purple. What does a plot represent?
22 May 2020 2,529 0 View
During the above task in CASTEP, this warning message is obtained: electronic minimization did not converge when finding ground state. Who can help me in this issue? Thanks in advance.
22 May 2020 9,274 3 View
Have any mathematical relation for all kind of materials?
10 April 2020 2,602 7 View
During optimization, sometimes we obtained the warning message given below: Warning: There are no empty bands for at least one k-point and spin; this may slow the convergence and/or lead to an...
01 April 2020 8,899 3 View
For optoelectronic applications direct band materials are suitable. There are many non-toxic perovskite materials that have indirect band gap. What is the appropriate method to convert indirect...
23 March 2020 8,910 19 View
ELATE is open source software, which provides the spatial dependence of elastic modulus, Poisson's ratio, etc. graphically. But, no numerical values are not provided. The intensity of graph is not...
15 February 2020 7,774 3 View
ELATE: Elastic tensor analysis generates the graphs are not distinct some case. It produce no data that can be used in another program to reproduce the graphs with better resolution. Is it...
11 February 2020 514 1 View
Please share the effective way to add the missing articles to our profile in Scopus.
11 February 2020 4,928 2 View
To describe optical properties how can we make relation with electronic structure? Can any one provide a good reference?
30 January 2020 8,394 15 View
It is sometimes claimed that the author's country is considered for processing the peer review. Generally, the authors of developed countries receive privilege more than developing countries.
24 January 2020 2,707 9 View
After reviewing a paper in a journal, one after one review invitation keeps coming from that journal every weekend. Does a man have no job but to review papers?
01 January 1970 1,965 4 View
