Dear All,
I'm a VASP beginner and I have to do some convergence test using VASP. Could someone provide me with a guidelines or tutorials for beginners to do convergence tests?
Regards,
Sajjad Izadpanah https://icme.hpc.msstate.edu/mediawiki/images/d/d2/LS14_VASP.pdf may help you.
Follow the book "Computational material Science" by June Gunn Lee...it may help you.
The book by Sholl and Steckel is also very good for beginners.
Sajjad Izadpanah This may help you:
http://dannyvanpoucke.be/vasp-tutor-convergence-testing-en/
Instead of checking only the mRNA level, I want to check the active protein level of MMP-1 in Liver tissue from mice. How can I do that?
03 March 2021 1,763 2 View
I want to analyses the proportion of swimming sperm of three species of fish in two salinities. To analyse the proportion of swimming sperm in a Generalized Linear Model, I would use a Binary...
03 March 2021 2,297 3 View
03 March 2021 8,272 1 View
Hi. Please tell me what guidelines should i need to follow for questionaries' type research work in India. It is not hospital based work, we are conduction basic institutional based qualitative...
03 March 2021 2,037 3 View
Hi, I implemented a code to gabor filter cifar10 data but the images after being filtered and stacked are not clear like the original images. I think the problem is in the way I am using the...
03 March 2021 6,317 1 View
i am try to classify the x-ray images. During classification , can i block unwanted images (except x-ray image).
03 March 2021 7,100 1 View
03 March 2021 5,360 2 View
The term miscibility refers to the single-phase state in thermodynamics. I do not mean the compatibility of different components. To determine the miscibility I know several techniques such as...
03 March 2021 4,107 4 View
If the detection range is in ng/ml but the reference range is in ug/ml for a molecule or protein in serum or plasma .how to dilute and what is the initial volume to be taken for quantitative analysis
02 March 2021 7,670 3 View
02 March 2021 5,204 3 View
02 March 2021 932 1 View
I have been trying to simulate heat transfer problem in Comsol 5.5 for long time but it always throw an error stating: "Failed to find a solution. Maximum number of Newton iterations...
28 February 2021 8,626 3 View
Hi all, I'm doing a transient simulation of flow past a rectangular cylinder close to the free surface. As far as I'm concerned, the common practice is to discard the initial stages of the...
25 February 2021 1,348 3 View
Dear respected researchers, while performing CFD analysis in Comsol it's showing like this Error: Nonlinear solver did not converge. The maximum number of Newton iterations reached can...
24 February 2021 249 3 View
Hi, I have modelled a three-span arch bridge with soil fill over along with pedestals. The FE modelling is done in LUSAS with HX8M solid elements (i.e. 3D solid modelling). The non-linearity is...
20 February 2021 1,346 2 View
For example, I have this phonon dispersion(Fig. 1), and now I would like get vector of atoms which describes TA1 in P. I know v_sim can show vibrational animation of specific mode, but I do not...
20 February 2021 4,332 4 View
19 February 2021 8,647 3 View
Comsol is investigating deformation due to gravity. Gravity is applied to the nanosheets to check for displacement and stress. If I input the Young's modulus of the channel to about 1 [GPa], the...
15 February 2021 6,027 3 View
Here are some of the parts of the input file: &system ibrav = 0, nat= 9, ntyp= 2, ecutwfc = 36.7, ecutrho = 367, smearing = 'methfessel-paxton', occupations = 'smearing',...
10 February 2021 4,689 1 View