I'm getting an error while trying to run a calculation. I have attached the image that has the error message. can anyone help me to sort out this error?
During installation of Quantum Espresso (develop version), a successful parallel environment detected on running "./configure" command. However, on running "make all" command getting error which...
14 December 2023 4,286 3 View
Dear qe users how to resolve this error >>>> Please choose the order of the elastic constant (choose 2 or 3): 2 .... Oops NOTICE: ElaStic found "ElaStic_PW.in". It will be used as...
17 October 2023 3,309 0 View
Dear qe users please suggest where I'm wrong %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%...
04 October 2023 4,646 0 View
Hello, I have the results for scattering rates, from epw software, but am wondering how I can plot the graphs of scattering rates as a function of energy as we have in this paper fig 6(a).Effect...
14 September 2023 9,709 1 View
Dear QE users, I am running epw.x in quantum espresso and getting an error attached here. Please suggest me to what to do on this. Thanks, Sujata ############################################...
11 September 2023 8,942 9 View
We want to plot polar diagram for young modulus and Poisson's ration for 2D monolayer material. If have any script or software please suggest me. Image are attached here. Thank You,
16 August 2023 238 1 View
I'm facing a problem with vc-relax optimization. Our structure is hexagonal and I apply a vacuum in the z-direction for 2D material and run this optimization. After optimization, the vacuum...
26 July 2023 5,488 2 View
I did the following steps: > 1) opt the system > 2) use the opt files for force constants matrix (is OK). > 3) use fcbuild command and the following error was printed out: > >...
01 June 2023 4,389 0 View
Kindly help me to get a tutorial comprising GIS shape files/raster data to conduct a training programme by using arc/gis-pro for Physical oceanography/coastal mapping (Geology). We have Arc/GIS...
05 February 2023 9,109 3 View
I am working on a health data set and trying to capture health inequality in India. Further, I am using a non-parametric (kernel) regression model to measure health inequality. To calculate the...
06 November 2022 1,396 1 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
After immunohistochemistry of previously fixed in PFA and EtOH and then frozen 20 μm sections of zebrafish brain, DAPI staining is very weak (right) compared to the same sections stained without...
05 August 2024 9,637 2 View
Hello guys! Do you have experience running a Oaxaca-Blinder decomposition on R applying person weights. How do you suggest doing it? I have a variable PERWT which gives more information on how...
04 August 2024 6,033 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 fabricated Ti3C2Tx using concentrated HF 40%, I plot an XRD as attached image below.. please let to know if I obtained it or not.
02 August 2024 6,789 4 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