Hello. I started studying DFT and using it for a bit of work I needed to do in College. I found it a bit interesting, because of the possibility of getting in touch with more "applied" science. However, after a time reading papers related to it I got a little disappointed. It seems to me that all papers resulting from work of these softwares (WIEN2K, VASP, SIESTA, QUANTUM-ESPRESSO, etc) all mostly just report results of calculations for DOS, Band Structure, etc. The problem is these publications usually do not give a relevant result about the studied material, and for me it seems there's no way that kind of result is actually used in applied materials science. Also, they keep discussing about the problems with the method, and that I think is very redundant and not productive at all: like why do these people calculate bad gap with DFT if everyone knows results are usually terrible. But what atracts me to this area of research is again, the possibility of take real materials and study them with calculations.(adsbygoogle = window.adsbygoogle || []).push({});

After this long introduction (if anyone is still reading) I ask to those with good understanding about this area: what do you think about what I said? Am I wrong? Finally, I have great curiosity about something: is it possible, using this method of research, to relate to more basic solid state physics, like observing an interesting fenomena or property of matter( I mean related to basic theory; this question is from someone who likes theory a lot but want to deal with thing closer to "real world").

Thanks.

**Physics Forums | Science Articles, Homework Help, Discussion**

Join Physics Forums Today!

The friendliest, high quality science and math community on the planet! Everyone who loves science is here!

The friendliest, high quality science and math community on the planet! Everyone who loves science is here!

# Research with DFT software

**Physics Forums | Science Articles, Homework Help, Discussion**