In DMol3, I have calculated several crystal phases and have calculated the TDOS and PDOS (,outmol) for them. For comparative analysis I want to access the .txt file where all the output for the TDOS, and PDOS are available, whether as a tabular format or as a spreadsheet. Where and how to find the data (.txt) for plot the graph?
Thank you guys in advance. :)
Felix, I wanted to know where to locate this PDOS data since it's not available as a .outmol file in the output data. Is it available in the server? Or can we extract the data from the analysis? And if so, how to locate the data, kindly help.
Thanks for the last reply.