9 Questions 5 Answers 0 Followers
Questions related from Hannah Jeniffer
How to calculate Curie Temperature in Quantum espresso?
24 July 2023 8,137 1 View
Hi, I am quite new for DFT calculations. Having downloaded the quantum espresso package, I have just done a couple of total energy SCF calculations and Relax calculations. I have read in some...
29 September 2021 3,115 2 View
I have attached a snip of my output file. A part where k points are shown. Under k = (0,0,0) there are many values. I am confused as in what those values represent. Can anyone help?
21 September 2021 1,760 2 View
Have anyone used Yambo codes for implementing GW method? I would like to know how to go about using it. where can I get some useful resources?
02 September 2021 6,107 3 View
I'm looking for datasets for machine learning on materials. I found out that many researchers have calculated some features themselves using DFT. I want to know how to calculate the vacuum...
01 September 2021 6,993 3 View
I am interested to conduct machine learning studies on Shape Memory Alloys. I dont have experimental setup. I would like to collect data collected by people and do a study on them using machine...
14 June 2021 1,810 5 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?
16 September 2020 9,135 13 View
I am trying to convert a cif file to a Quantum espresso file to do DFT calculations
11 September 2020 1,743 4 View
I am looking for data files of Nano Composites. Any form of data, be it XRD outputs, SEM or TEM images or anything. Where can I find them?
29 August 2020 10,087 5 View
