Casey Eichstaedt

Hi Kay and Lars, Thank you so much for your speed of light response to my inquiry! This helps a lot! Also, thank you very much for developing such nice code! It is truly a gem in my research. I will work on utilizing the python code you sent and let you know if it works. Adolfo wishes his best to you!! Thanks, Casey

Hello, My name is Casey Eichstaedt, and I am a Ph.D student in the Eguiluz research group at the University of Tennessee Knoxville. I currently using elk (ver 1.0.17 ). I have received the information for the atoms block and the avec block of the code from a user of Wien2k. I usually use the spacegroup utility to output these blocks in which I input the spacegroup. In this particular case, I was curious if there is anyway to see if the spacegroup (in our case R-3m) can be recovered using just the...