when i run open_grid.x the calculation stop ed without crashing and line error shows :
In file 'exx.f90', around line 590 : Error allocating *** bytes : cannot allocate memory
I am reaching out to express my interest in potential research collaboration opportunities in the field of Computer Science and Engineering. I am willing to cover any Article Processing Charges...
18 April 2024 6,539 4 View
Hello to all possible researchers who have a developed research idea in the field of social psychology, specifically the behavior of individuals in groups
29 March 2024 3,809 6 View
Greetings, I am currently engaged in stability analyses of a three-dimensional material using VASP and density functional theory (DFT). While the system exhibits dynamical, mechanical, and thermal...
20 March 2024 4,562 4 View
I am working on polymer but I do not have any access to GPC so I want to find alternative options.
07 March 2024 8,339 3 View
This could involve manipulating media composition, fermentation conditions (pH, temperature, oxygen), or even strain engineering approaches.
12 February 2024 2,232 1 View
Hope you all will be doing great. My question is how to taper a fiber using fusion splicer
07 January 2024 4,980 0 View
How can we use DFT to study how various defects impact the optical and electronic properties of semiconductors like CIGS chalcopyrite materials?
29 December 2023 8,293 3 View
I need to find out molecular weight of a polymer.
27 November 2023 1,969 2 View
Hi! Can anybody help me regarding how the p value has been calculated and what is meant by p value here at the right side of the table shown, any formula, tutorial vedio from Youtube would be...
14 October 2023 5,003 2 View
Can Polyethylene Glycol (PEG-6000) be used in pots filled with soil for evaluating the drought tolerance of seeds ?
20 September 2023 8,012 3 View
I have modelled a steel structure using beam elements in Abaqus and attached to this structure reinforced concrete slab. The analysis that I am making is heat transfer of the structure. The...
07 August 2024 1,028 0 View
Hello, everyone. I have tried to determine carrier motilities of some materials, by Density Functional Theory, using Quantum ESPRESSO. There are a few methods to do it, like a package called...
04 August 2024 8,894 1 View
I am attempting to conjugate PEG to an amino acid at the C-terminus, for the purposes of producing nanoparticles. I have been told that PEG modified with amine groups can be used for this purpose,...
31 July 2024 2,033 1 View
Dear all! Oxygen vacancies do raise negatively the Fermi level by increasing the negative charge in the semiconductor crystal structure. In the case of n-type semiconductors, I wonder if this...
30 July 2024 8,339 2 View
Sure, here is the translation: I have a 3D orthogonal woven composite structure where warp, weft, and binder yarns are oriented in three directions. After modeling these yarns and the matrix in...
28 July 2024 8,169 0 View
The catalytic effect of retained austenite refers to the phenomenon wherein quenching steels with a small amount of retained austenite, when subjected to tempering at a specific temperature...
27 July 2024 8,508 0 View
Dear Siesta Users, I installed Siesta 5.0.1 and I want to use Grimme's D3 correction. According to the 5.0.1 manual, I could use a few parameters to include the D3 correction in the...
27 July 2024 5,748 0 View
Hey All! I am wondering what might be wrong with my band structure. I did the calculations using VASP and plotted the results using Origin. Although I have tried changing various input...
25 July 2024 2,920 11 View
Dear Researchers, My question is associated with the "MDCI" method in Orca. Please let me clarify my question using a simple example: Suppose we are going to perform CBS extrapolation using "!...
21 July 2024 1,632 0 View
Best method and number of embryos for extracting RNA from pig morulae?
21 July 2024 4,398 1 View