Density Functional Theory

Arun Prasath

I am a new user for Quantum Espresso(QE). Recently I have installed Quantum Espresso in my system. Now i am struggling to give input file in QE. How to generate input file in QE?

Kholdstare

It seems that their website provides a tutorial. Why dont you follow that.
Also they say the graphical interface can be used to generate input data or it can be taken from some other software.

Arun Prasath

Thank you Kholdstare.
Yes they have given the tutorial in their website.Their tutorial describes general structure of input file. And I could run the default example files which are given in Quantum Espresso (QE). But my doubt is how to create my own input file for my chosen material.

rollingstein

Quote by Arun Prasath

Thank you Kholdstare.
Yes they have given the tutorial in their website.Their tutorial describes general structure of input file. And I could run the default example files which are given in Quantum Espresso (QE). But my doubt is how to create my own input file for my chosen material.

They have a dedicated QE forum. You might have better luck asking there. (though looking at the vagueness of your Question I doubt it.)

Similar Threads for: Density Functional Theory
Thread	Forum	Replies
Density Functional Theory	Atomic, Solid State, Comp. Physics	12
Density Functional Theory and the Local Density Approximation	Quantum Physics	8
Density Functional theory	Atomic, Solid State, Comp. Physics	0
Functional Density Theory	Atomic, Solid State, Comp. Physics	2
density functional theory	Quantum Physics	1

Arun Prasath	Density Functional Theory Tweet I am a new user for Quantum Espresso(QE). Recently I have installed Quantum Espresso in my system. Now i am struggling to give input file in QE. How to generate input file in QE?

Kholdstare	It seems that their website provides a tutorial. Why dont you follow that. Also they say the graphical interface can be used to generate input data or it can be taken from some other software.