The total simulation time and time steps are 5000 fs and 1 fs, respectively. The OSZICAR file seems incomplete and it gives the energy in only two steps. I have attached my INCAR and OSZICAR.out files.
I'm involved in a study of odor control technologies for municipal wastewater treatment plant. One of the control options involves a chemical 2-stage (acid/alkaline) packed bed scrubber. The...
03 March 2021 3,661 2 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
Is DCFDA appropriate for measuring total ROS production, or can it only detect certain types of ROS? If I want to measure total ROS production, which dye should I use?
01 March 2021 9,447 3 View
Hello every body Does any one has any idea to help me choose a reasonable basis set for intermediate metal ions (i.e Fe2+, Mn2+, Cu2+ and exc.) interactions with guanine or other DNA organic...
01 March 2021 6,187 2 View
01 March 2021 7,254 3 View
Hi dear researchers I connected a rigid body into the part of my structure by tie constraint and then I added displacement to rigid body, in static general step every thing is fine and these two...
28 February 2021 3,442 2 View
For example in one research article the Elemental analysis values of COF-TpPa-1 ( Triformylphloroglucinol (Tp) (63 mg, 0.3 mmol), Paraphenylenediamine (Pa-1) (48 mg, 0.45 mmol) are as follows...
24 February 2021 1,265 6 View
24 February 2021 4,833 3 View
I do need the Matlab code of Fractal Discrete Cosine Transform (FDCT). Can anyone who has already implement this code, help me with the implementation of this transform?
24 February 2021 5,602 2 View
Currently trying to obtain as many pieces of research as possible for my dissertation around the implementation of DBT within the inpatient unit for those with a diagnosis of BPD. Primarily...
23 February 2021 5,654 2 View
Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...
03 March 2021 9,989 2 View
I have prepared a manuscript in IEEE Latex template, but for some purpose, I need to prepare a word file as well (detailed format is not required). Compared to two column .tex file, one column...
02 March 2021 1,830 3 View
Hello, I am working on a soil project and I found a primary research article that tests how the modification of agricultural soil can cause global warming, using a thermal collector, however I...
02 March 2021 7,161 3 View
I made a vertical section plot with WOA .nc file on ODV, and now I want to plot my stations (csv. file) in it. Does anyone know how to import my points to the section? They are two different...
01 March 2021 3,610 1 View
01 March 2021 1,290 2 View
I've used the "export data" option in Vesta software to convert my unit cell into a cif file however when I use that cif in atomsk it shows error such as "can't read the position of atom 0". If I...
28 February 2021 4,966 3 View
Hi, all! How can we use a hybrid element in Abaqus Dynamic/Explicit for impressible materials? I have not find the choice for explicit element in Abaqus CAE. I am wondering whether it is possible...
25 February 2021 9,936 2 View
25 February 2021 5,713 1 View
Hi I am very new to proteomics analysis. I have got raw files from core facility running thermofisher TMT 16plex 4 hours. I cannot find on maxquant the option TMT16Plex there is only up to 11...
25 February 2021 1,675 3 View
I am using the crystallographic open database and materials project to search for cif file but the exact structure is not mentioned or how can I deduce that the given structure and atomic position...
23 February 2021 6,723 2 View