Huta R Banjade

icon company Temple University icon location Philadelphia, PA icon location R&D Scientist with PhD in Computational Physics. Expertise in applying ML/AI tools to accelerate material discovery and Optimize the discovery process.

Results 5 comments of Huta R Banjade

Surface state of Bi2Se3

Hi Mj, I have the same problem, did you fixed your issue? Thanks.

Surface state of Bi2Se3

Could you please help with the trick to shift the third coordinate of the POSCAR-rotated. I got the same band structure from wannier 90 and VASP. When I try to...

Surface state of Bi2Se3

Thank you so much. Could you please share the input tags you used? Especially for the (001) surface tags. On Sun, Oct 6, 2019 at 3:50 PM mj299792 wrote: >...

Surface state of Bi2Se3

Hi Quanshengwu, Thank you so much for your comment. When I generate the wannier functions, I got the warning saying "Maximum number of disentanglement iterations reached" >. How serious is...

Can you explain why did you do digraph in answer_four().

# change the edge direction and get a double direction graph G_copy_df.rename(columns={"From":"From_", "To":"From"}, inplace=True) G_copy_df.rename(columns={"From_":"To"}, inplace=True) # print (G_copy_df) G_final_df = pd.concat([G_df, G_copy_df]) # print (G_final_df)