The desired software must be similar if possible to the commercial code entitled : Phonon.
Dear Kebbab,
I tink you can add Phonopy package to wien2k code for investigation of Phonon properties of materials.
Please check this site.
http://phonopy.sourceforge.net/
Dear collegue,
There is PHON package with a WIEN2K-interface (wien2phon):
link to PHON program: http://www.homepages.ucl.ac.uk/~ucfbdxa/phon/
link to WIEN2PHON interface: http://www.wien2k.at/reg_user/unsupported/
good luck
In solar energy application, often we should know the sun position at each instant. With the sun position calculation, I think we can establish a database for this purpose. Then we can use-it for...
31 December 2014 7,264 12 View
When the PV solar cell is used in a multi layer form, the goal is to benefit of a large interval of solar radiations. I think that the gap and the contact of different layers must have certain...
31 December 2014 3,584 4 View
Is it possible to obtain a phonon energy of about 425 meV, or is it an indirect transition assisted with more than one phonon?
11 December 2014 6,267 1 View
Optical constants as well as the gap, represent the signing of a material. They must be specific for this material. However, optical constants depend of the size of the crystallites which form the...
11 December 2014 5,742 3 View
From band structure obtained with an existing calculation method , can we reach the result relating to the contact barrier between two materials ?
11 December 2014 5,487 13 View
There are much old films which are colored later. The obtained result seems to be satisfactory. The colors can be different from the originals but it is sufficient for mistaking the human eyes....
11 December 2014 8,546 1 View
Among the parameters which decrease the efficiency of the photovoltaic solar cells, we can note the solar IR radiations. This kind of radiation increases the temperature and then disturbs often...
11 December 2014 447 17 View
Until today, a good colored image is obtained using exclusively light. Electron microscope uses electrons and echograph uses ultrason. That gives only gray images.
10 November 2014 7,733 11 View
08 September 2014 9,211 2 View
Especially to target the WO3 oxide.
02 March 2014 2,843 2 View
Hello everyone. Given microstructure image belongs to a 12% ledeburitic cold work tool steel (annealed and tempered). The sample was etched with picral (100 mL ethanol and 4 g picric acid). I...
02 March 2021 4,119 3 View
Is There Any Feasible Method To Test The Efficiency Of Fluorescent Compounds Other Than UV Spectrometers ? Suggestions Would Be Appreciated !
02 March 2021 5,785 3 View
I am working on modeling and simulation of biomecanical material behaviour, I have succeded on simulating skin using anisotropic hyperelastic material, on APDL and in our lab's finite element...
28 February 2021 552 3 View
I am currently doing research on the adsorption of heavy metal using magnetic reduce graphene oxide. I use AAS to determine the concentration of the heavy metal. I prepare the Pb solution with...
26 February 2021 9,580 4 View
Good day to all, I have no experience with light emitting diodes. I am building a glass mini flume to demonstrate the photo degradation of Methylene Blue in water running over self cleaning...
26 February 2021 4,026 5 View
I am working on TiO2 composite material and the results of XRD have a lot of small/junk peaks and while I apply a smooth filter in Origin then the other characteristics peaks disappear so anyone...
26 February 2021 8,183 3 View
Hello everyone: I am looking for a simple software program to model chemical bonds. The purpose is to generate a high-quality graphical abstract for a top leading journal in the field of...
23 February 2021 8,012 3 View
How to do acid digestion of soil sample with 3:1 aquaregia in an open vessel?
23 February 2021 3,053 7 View
I notice that upon washing and air-drying of my RGO/SPCE surface and characterizing again via DPV, the current response towards ferricyanide probe significantly decreases. My worry is that the...
22 February 2021 5,324 3 View
I need to simulate the optical properties of a biomaterial, namely DNA, in COMSOL. Basically I need to simulate the IR absorption spectrum of a cylinder filled with a 'concentration' of DNA. I am...
21 February 2021 3,043 3 View