Lucy Whalley
Lucy Whalley
Hi @haseeb0111, yes if you could send me some QE output files for bandstructure calculations that would be great. It would be good if could cover most calculation types -...
@fnattino @hgandhi2411 - any updates on your review? or indicative timeline for when next updates will be? ---> I'm keen to keep this review moving along.. remember, if there are...
Thanks for update @fnattino , I'll chase @hgandhi2411 up by email
Thank you @hgandhi2411 and @fnattino for your time spent on the review, and for the updates. @gdmiron - yup, it looks like you have a few things to work on....
Hello - It's a work in progress, on a branch in a forked repo [here](https://github.com/lucydot/Julia-Phonons/tree/project). It's completely untested, and sitting in a Jupyter Notebook. I'll keep this thread updated with...
Hi @FPrith - Apologies for late reply. I have not yet developed a habit of checking my github mentions frequently; something to work on. Could it be that for the...
Hi @haiyuanwang2020, Thanks for clear explanation of your problem and images sent. Looking at the image `0_0.7_0.5.png` it looks to me that the band is quite flat at the CBM...
Hello Wuliji, Sure - I'll take a look. Could you share your input files and the Jupyter Notebook / code you are using, telling me on which line(s) you don't...
I'd prefer if you could upload to github? This way our discussion can be followed by other people - Lucy On Thu, Jan 21, 2021 at 3:12 AM wulijixxx wrote:...
Hello @wulijixxx *I think* the problem might be because you have the same kpoint repeated at each of the special points in k-space (0.5,0,0 and 0,0,0 and 0,0,0.5 and 0.5,0,0.5)....