How to create a higher quality image than the default raster image in VESTA??

Is there a straight forward (and preferably free) option to convert the rather low quality png output by the raster image option on VESTA?? Thanks in advance for any help.

05 June 2019 1,270 3 View

Easy way to parse data from VASP EIGENVAL file??

Is there an easy way using command line (LINUX on Mac) or even python to parse data from the EIGENVAL output file of a VASP run?? Here is what I want to do: 1. Find every occurrence of a single...

04 May 2019 1,367 2 View

How to determine appropriate value for isosurfaces in VESTA for charge density difference??

As the question states, I am trying to determine the correct value for the isosurfaces of the charge density difference of two slabs and an interface using CHGCAR files from VASP. I have used the...

01 February 2019 530 5 View

How to use bash scripting to create POTCAR in VASP??

I am trying to write a simple bash script to create a POTCAR based on user inputs ....i know i can use the read function to take in user inputs, but I am not sure how to do this for different...

31 December 2018 3,854 0 View

How to determine Pb 1s core levels in VASP and relevant band edge alignment using MacroDensity??

08 September 2018 6,054 1 View

How to analyze a particular region of my simulation box in GROMACS?

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 need to image mesoporous silica nanoparticles that are in ~100 nm size and do high resolution TEM to look at mesopores. what grids should I use?

Need to image mesoporous silica nanoparticles using the TEM. Also, need high resolution TEM images to see the mesoporous structure. Kindly suggest what kind of grids to use. Thanks, Shatadru

02 March 2021 1,787 2 View

How to get onecolumn document from standard IEEE ACCESS LateX template?

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

How can the modification of garden soil cause global warming?

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

Does anyone know how to plot my station to a section plot on Ocean Data View (ODV)?

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

Does anyone know to clarify these changes?

01 March 2021 1,290 2 View

How can I convert .vesta file to a .cif file?

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

High aspect ratio hexahedral mesh optimization solver?

I am interested in evaluating mesh optimization solvers that converge to high aspect ratio unstructured hexahedral grids. In other words, I am interested in a solver that optimizes warpage,...

26 February 2021 7,279 2 View

How can we use a hybrid element in Abaqus Dynamic/Explicit for impressible materials?

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

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25 February 2021 5,713 1 View