10 Questions 9 Answers 0 Followers
Questions related from Km Sujata
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...
15 December 2023 4,255 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...
18 October 2023 3,281 0 View
Dear qe users please suggest where I'm wrong %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%...
05 October 2023 4,535 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...
15 September 2023 9,675 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 ############################################...
12 September 2023 8,909 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,
17 August 2023 183 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...
27 July 2023 5,461 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: > >...
02 June 2023 4,363 0 View
Dear researcher Please suggest me where we get BotzTrap2 tar file for Linux because I have need BoltzTrap2 for calculation of thermoelectric properties of material
13 October 2022 773 3 View
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?
28 July 2022 8,999 0 View
