Quantum Espresso has GUI mode version. And it is free (open-source).

Dear Suresh, Thank you for your answer!

Can you send me the link to download the GUI mode.

How does it work? Please explain a bit more.

I have read abinit and quantum expressio has GUI mode but I could not found it. In website of abinit there in no GUI mode avaliable,

Is there any specific software needs to be use?

please elaborate a bit.

With regards

Homnath

Dear Homnath,

Go to this following website where you can download the quantum espresso package. "http://www.quantum-espresso.org/" or

"http://qe-forge.org/gf/project/q-e/frs/?action=FrsReleaseBrowse&frs_package_id=18"

GUI mode in quantum espresso is called PWgui. You have also to download it separately and install.

Quantum espresso is available both for windows os and linux (like ubuntu).

For linux, you just type "conquer your computer quantum espresso" in google there you will find the way to install it in linux platform.

All the best.

Thank you Suresh!

You are welcome!

There are many free software packages for doing DFT simulations like Octopus, Quantum ESPRESSO and CP2K.

Dear Nadeem,

do they come in GUI package?

Like QE comes in BURAI package. What are the names of other GUI packages?

for making in put file easy way to use pwgui, easy if you are using high computing nodes for simulation.