Dear Beginners,
Welcome you all, and
I don't wanna waste your time lets go to our business. There are many ways to
install quantum espresso on your machine.
1. Booting Linux os on your system then, give more trouble to your hard drive. In
addition, confusing yourself.
2. Become friendly with Windows OS. Installing QE (GUI) without any Command prompt. [🔺 Note: sometimes this will not be flexible with transport and thermodynamic calculations.]
3. Installing QE on
Widows. Performing calculation on Command prompt. Yeah, I got your mind voice, dear. I am here to
help you all.
Let us go with the flow,
Nowadays we are using Windows10. To install QE, we need supporting software in
our system. Because the DFT codes are written in CC and Fortran
compilers. Windows 10 already they have such a compiler inbuild and we can download it by updating our pc or laptop.
Now, let us download our Quantum espresso source code. Go to the QE home page https://www.quantum-espresso.org/ click on downloads and scroll down after the is page loads successfully. click on AdvanceSoftware Corp. which drags you to Github page.
| Quantum Espresso download page |
 |
| Github page for source code |
Download the qe.zip and mpi.zip by double-clicking on it.After the downloading
successfully, extract both these files on Local disk C. And add the directory of
your qe and mpi in the user path as following.
Now again,
you open the command prompt. Then go to MPI file directory and type $smpd -install press Enter key. Then open a new Command
prompt type $pw and press Enter.
If your prompt will show the result as following the picture. Otherwise, check the steps. I hope this may help you to install Quantum espresso. Please drop your queries on the comments. I will try to post on my blog.
If your prompt will show the result as following the picture. Otherwise, check the steps. I hope this may help you to install Quantum espresso. Please drop your queries on the comments. I will try to post on my blog.
