When i am running the x_trans BoltzTraP command for the calculation of various transport coefficients, the following error occurs.

More Anuradha Saini's questions See All

Seebeck coefficient of a material changes sign under hydrostatic pressure. what is the explanation for it?

material becomes p-type from n-type as the pressure is increased.

04 May 2019 7,507 5 View

Has anyone applied Python in the field of textile engineering for data analysis, automation, or smart textiles?

I'm currently exploring the application of Python in textile engineering, specifically in areas like data analysis, process automation, and the development of smart textiles. I'm interested in...

10 August 2024 7,429 2 View

Request Python code?

Request Python code from this article : Gender equity of authorship in pulmonary medicine over the past decade. THANKS!

08 August 2024 6,242 2 View

Why does everyone use vs code?

Visual Studio Code (VS Code) has become a popular choice among developers for several reasons: 1. **Free and Open Source**: VS Code is free to use and open source, making it accessible to...

07 August 2024 7,013 4 View

How can i do multivariate Time Series forecast using MLP, ANFIS and LSTM?

I need the python code to forecast what crop production will be in the next decade considering climate and crop production variables as seen in the attached.csv file.

05 August 2024 2,977 3 View

Need help with my research project on open source SIEM and machine learning?

Hello everyone, I am currently working on a research project that aims to integrate machine learning techniques into an open source SIEM tool to automate the creation of security use cases from...

04 August 2024 3,196 2 View

Difficulty with permittivitt and Magnetic Permeability Calculations?

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

How to use Desmond in HPC ?

Our department has recently acquired an HPC (High-Performance Computing) system, and I'm thrilled to take my molecular dynamics calculations to the next level using Desmond. I used to run my...

28 July 2024 6,553 1 View

All math can be explained by iterator of code?

all math can be traversed by code? all math can be translate to code?

26 July 2024 9,530 0 View

How to do FEL analysis?

In molecular dynamics simulation, to get FEL analysis, I got an error. My Python version is 3.10.7. My input files are made with a lower version of Python. But the final command to generate the...

23 July 2024 5,646 2 View

What is human-computer interaction (HCI)?

22 July 2024 10,056 2 View

Tanweer Alam

This document might be helpful

https://wiki.rc.usf.edu/index.php/BoltzTraP

Enamullah Khan

did you get the answer?

Mihir Date

Please check whether all the symmetries in your crystal are being reproduced in the scf and nscf files correctly.

This, at times happens when the atomic coordinates are not entered very accurately (i.e. up to six decimals).