I could not find a paper related to this. Can any of you help me with? here metal nanostructure is the phonon bath. According to my understanding, you want to match the size of nanostructure to phonon wavelength of helium.
In hirshfeld surface calculation i did not find any red spot in hirshfeld surface, is it ok for research article to write?
28 July 2024 2,988 0 View
I have ftir from gaussian output file.where ir aand raman are given. However in many research articles value of ir and raman are classified into two portion. Please anyone knows suggest me to how...
11 July 2024 2,498 1 View
I am new to gaussian 16 software and while doing non linear optical properties calculation hyperpolarizabiltiy polarizability dipole moment calculation I found different gaussian input keywords...
08 July 2024 7,551 1 View
I need some string insights.
02 July 2024 4,059 1 View
How does the above items impact the goal towards net zero emissions? What might be the role of the emerging scientists, leaders and professionals for achieving sustainability in agriculture...
26 June 2024 5,678 3 View
Can we cite our literature from videos or podcasts from official websites?
21 June 2024 5,706 1 View
How to complete literature review fast without using AI tools and with no plagiarism? Why it's hard to get citations? How can we get articles that we can cite fast?
17 June 2024 677 2 View
Is Walkley and Black method is the only method that is universally accepted to measure SOC evaluation? Are there any other methods that determines the SOC content with minimal errors?
17 June 2024 1,725 0 View
What suggested changes can be brought in IFFCO so that, the rate of RTO can be reduced ?
03 June 2024 3,871 2 View
hand weeding is time consuming, costly and other mechanical weeding practices are not available here. I am seeking for effect of selective herbicides on root nodulation in mung bean farming....
22 May 2024 4,141 0 View
how to fix this error, from phq_readin : error # 1 DFPT with the Blochl correction is not implemented I am attaching my ph.in file.
23 July 2024 4,649 2 View
I want to close crack in alumina kindly suggest any glue or epoxy to close leak.
27 June 2024 10,110 1 View
Hello! I am facing a problem, I tried using pdb2gmx to generate topology file but it shows error HEA residue not found then I tried copying the forcefield file and edited accordingly but again...
24 June 2024 1,242 0 View
Dear all, I want to calculate the phonon dispersion of 4CNR-1-0 (structure is in Fig. 2 (b) in this article Designing coved graphene nanoribbons with charge carrier mob... ) and then calculate...
17 June 2024 6,911 2 View
I am trying to calculate lattice thermal conductivity using Slack model. In Slack model the lattice thermal conductivity is proportional to (Debye temperature)^3. Can I use the Debye temperature...
11 June 2024 1,719 1 View
I am trying to perform ph.x calculations on lead-halide perovskite primitive cell with `8 8 8` k points in scf calculation and `6 6 6` q -point grid. The calculation is computationally expensive...
12 May 2024 6,276 0 View
I am attempting to reproduce phonon surface state calculations using the Wannier tools package. In the first step, I aim to obtain the phonon tight binding Hamiltonian from force constants or...
01 May 2024 3,029 2 View
I am aware that periodically layered media (if structured properly) can produce bandgaps, however I have never found a great explanation for this in the phononics case. Can someone please provide...
30 April 2024 9,681 4 View
When using DFPT or the finite displacement (also known as the frozen phonon) method to compute surface phonon spectra, it is generally necessary to perform high-precision optimization on the slab...
22 April 2024 8,385 0 View
I have a long-standing question that I hope you can help me with. In phonon calculations within QE, we obtain vibration frequencies and eigenvectors from the matdyn.out file. I am particularly...
07 April 2024 299 3 View