Dongsheng-Wen

Dear Prof. Wu, Following-up on this discussion, how do we choose the appropriate Btau for \sigma_n/tau_n? The implementation lumps B and tau into Btau during the integration of the velocities....

Hi AKB-OU, This is very interesting. Do the two packages have the same level of theories/methods to compare the results? In older versions, there was no EF_broadening parameter for the...

Looks like a factor of two is there between the versions. I was able to reproduce the results of Cu between v2.7.0 and v2.5.1. The plot matches after x2 for...

Hello, I would like to follow up on this thread as I found the config_list.json is not readable between old and new versions of casm. It would be extremely helpful...

> Hi I'm working on that, but some files for the wannier90 input/output related to the symmetries seem to be badly defined in the manual. In the development version, 'pip...

Great thanks for the clarification. I took another look at 180.168 for example, $\Gamma_7$ under $6^+_{001}|00\frac{1}{3}$. The table in BCS shows: ``` -i 0 0 i ``` But the programme...

Hi, after playing around the package. I found another thing that I find not straightforward to understand. I looked at SG196 for the C-3 WP: from the encyclopedia paper https://arxiv.org/abs/2102.01517....

Ok I think I found the missing step, there is a linear transformation of the coordinate system from (kx,ky,kz) to (qx,qy,qz) which was not in the output.