I have more than 200 output quantum espresso files that I would like to convert to xsf format using xcrysden. The use of the graphical interface would be cumbersome, then I need the command or a script to do the conversion.
Could you suggest any journal where i can publish my first review paper easily
17 June 2024 3,355 2 View
Hi there! I was wondering how I should go about interpreting the following data. I am currently investigating the moderating role of working memory (continuous) on the relationship between...
07 June 2024 1,473 0 View
Compound composition : EPDM, Oil, white fillers, sulfur, accelerator, activator, blowing agent, retarder...
21 May 2024 2,967 0 View
I am doing a research on pharmacogenetics of treatment of type2 diabetes. the SNPs i have selected are in close proximity on the same chromosome. I want to carry out linkage disequilibrium and...
28 April 2024 6,449 1 View
As you can see below an SEM image of a rubber (this rubber formulated with EPDM + blowing agent'OBSH' + oil + other chemicals agent), I recently noticed that the material contains a lot of bubbles...
16 April 2024 8,395 0 View
I am looking for fully funded scholarship for MSc or Phd program in Food Science/ Food Processing/ Food Engineering discipline.
01 April 2024 3,255 0 View
In the context of chemical risk in industry, the occupational exposure limit value is a very important term for determining the maximum concentration and time that an employee can be exposed to a...
28 January 2024 6,883 0 View
Hi How i can do the Nudged Elastic Band (NEB) calculation in WIEN2k ?
16 January 2024 1,360 0 View
Hi everyone, referring to this youtube video https://www.youtube.com/watch?v=fbaV_knzzks which is a part 1 tutorial for a dynamic mesh problem for a piston and reed valve, could you please...
08 January 2024 4,787 1 View
i'm using wien2k code to calculate charge density diffrence .....how i can do that ......i need all steps that i have to do it ......thank you
18 December 2023 3,901 2 View
The paper in question is "Interpolation of Nitrogen Fertilizer Use in Canada from Fertilizer Use Surveys". This paper was very recently published by Agronomy (MDPI). Agronomy has, in the last day...
07 August 2024 9,934 3 View
Program: g_mmpbsa, version 2024.1 Source file: extrn_apbs.cxx (line 152) Fatal error: Failed to execute command: $APBS pybYcUWA.in --output-file=pybYcUW.out
07 August 2024 6,066 0 View
The first pdf file I uploaded had an error. So I uploaded an updated, corrected pdf of that paper with a different pdf name. I dpon't want the old copy to be download or read.
07 August 2024 9,508 1 View
Dear QE-users, In the method where full MS positive mode and PRM mode are used, we always get an incorrect auxiliary gas reading (41 instead of 25). This only happens in this method; other...
06 August 2024 4,953 0 View
Dear Researchers Kindly share JCPDS 65-7246 file Thanks in advance
04 August 2024 5,613 1 View
Hi everyone I need a file with a dirty and clean potato image
04 August 2024 7,199 4 View
I am working on developing a MATLAB Simulink model of Wind turbine with PMSG followed by MPPT Boost converter. I have gone through so many literature and videos but I am not finding clear solution...
03 August 2024 888 1 View
How to change the displayed full article text to its corrected version? In the file on the page of the journal where I published the article, there was an error in the text, the table is...
30 July 2024 3,229 2 View
Difficulty with permittivitt and Magnetic Permeability Calculations Hello everyone, I have all the parameters related to the calculations of the permittivitty and magnetic permeability...
30 July 2024 5,206 1 View
i m interested in pca analysis of c-alpha atoms in gromacs for that i used the following gmx_mpi covar -s mdca.tpr -f mdca.xtc -o eigenvalca.xvg -v eigenvecca.trr -av average.pdb -n index.ndx but...
30 July 2024 1,607 1 View