I have done relax calculation but do not know which parameters are used (new optimized parameters and what parameters are obtained from relax.out )for band calculation in scf.in file and band.in file.
Hello, Can anyone provide me with the absorption coefficient of methane gas at 7.7 um? Any reference?
06 August 2024 980 5 View
Hello everyone! I am currently exploring the performance of large models in understanding knowledge in specific domains, and attempting to construct a knowledge framework similar to what...
05 August 2024 5,729 2 View
Regarding a model for simulating battery charge and discharge, what do you consider to be high fidelity? What is the acceptable percentage of error (regardless of the metric)? Could you suggest...
03 August 2024 5,358 0 View
need to open an account to upload my published papers
01 August 2024 9,255 1 View
All plants are green but some of these plants becomes yellow. I did not found any reason. Please help me to find out the real problem.
01 August 2024 589 4 View
I am using a Bruker 600M solid-state NMR spectrometer with a Micro 2.5 microimaging system. The test sample is a tube of 1M LiCl aqueous solution, and the nucleus detected is 1H. I am trying to...
01 August 2024 9,227 1 View
Hello. Thanks for your consideration to see my question. Recently, I conducted XPS anaylsis of g-CN that is prepared from thermal polycondensation of DCDA, so-called conventional bulk-g-CN,...
30 July 2024 9,824 2 View
N=6 Comparing pre and post test likert scale responses. Participants are mix of practicing & preservice teachers.
30 July 2024 7,233 4 View
Hello, I'm trying to measure the conductivity of semiconductor films but since I don't have a commercial four point probe set up I would like to build one on my own in my lab. I have generators,...
30 July 2024 906 2 View
Can an analytical method's limit of quantification (LOQ) be outside its linear dynamic range, or is it always required to be within it? Please provide a thorough explanation supported by verified...
29 July 2024 7,198 9 View
I am not able to get good literature and the physics behind how first these grains and grain boundaries arises out of no where when we make a pellet to study its dielectric properties and then how...
07 August 2024 5,177 3 View
I understand the basic definition for both. I found a literature to describe both of them. In the paper, they states: If a stress is applied to a concrete body, the body experiences an elastic...
19 June 2024 525 3 View
I am trying to find out temperature dependent lattice constant (Silicon) using CPMD (NPT ensemble). If I want the lattice parameters at 300 K, should I set temp 300 K in both &cell and...
07 June 2024 4,586 0 View
ECRTool is a Matlab based software tool for plotting Electrical Conductivity Relaxation graphs.
04 June 2024 8,133 1 View
Hypothesis: Diaphragm spasms contribute to obstructive sleep apneas and pulmonary hypertension. While in diaphragm spasm, which appears to happen most often in REM-sleep (in the form of...
30 May 2024 297 4 View
In dielectric, how do we know whether conduction wrt applied frequency takes place due to electron or due to a polaron. In Jonscher power law, can we distinguish whether the conduction is due to...
16 May 2024 4,102 1 View
which under relaxation factors is suitable for laminar mixed convection when using SIMPLE algorithm for velocity-pressure couple, PRESTO! and second order UPWIND schemes for pressure, momentum and...
19 April 2024 6,162 0 View
Hi, I am trying to get stress relaxation profile from a simple hyperelastic model. Step: I applied 2 steps(static, geometry) in a simple 3D cylindrical model where first step was 30 secs and...
19 April 2024 3,128 0 View
I want to know if there any proper method available for choosing of non-conserved relaxation parameters in MRT-LBM? Any literature suggestion would be helpful in that case.
18 April 2024 939 0 View
Additionally, we aim to predict whether the chromatin is in a condensed or relaxed state!!
15 April 2024 7,439 3 View