Jan Lennart Winter

Hey Shankar, thank you that worked very well. Thanks for answering all my questions with such patience :). Best, Lennart

Dear Shankar, meanwhile I was able to calculate some bandstructure plots using JDFTx producing good results. But now I wanted to take it a step farther. I wanted to calculate the complex refractive index or look for minima in the band gap along the calculated k-path. For that purpose I kindly wanted to ask whether there is a way to save the output data of the band claculation or the DOS-calculation. I had a table or a matrix in mind which would look like this: kpoint(x-value) | kpoint(y-value) |...

Dear Shankar, thank you for your response; I too didn't give this matter my full attention :) But I will definetly try your suggestions out and have a closer look at the metals tutorial. Thanks again and best, Lennart

Dear Shankar, sorry that I didn't think of it myself. Here they are. Best, Lenna...

Dear Shankar, sorry that I didn't think of it myself. Here they are.

Dear Shankar, dear community, I recently did a band structure calculation with tungsten....

Dear Shankar, dear community, I recently did a band structure calculation with tungsten....

Dear Shankar, dear community, I recently did a band structure calculation with tungsten....