Search found 616 matches
- Wed Mar 23, 2016 8:11 pm
- Forum: Running the code
- Topic: Internal error, cannot braket Ef
- Replies: 5
- Views: 4071
Re: Internal error, cannot braket Ef
Dear John, This issue happen for metallic system. You need to manually remove the check that raises the error in the code and recompile. Alternatively you could use the new version of EPW compatible with the latest QE version. EPW is currently in the trunk of QE on qe-forge: m However if you are not...
- Tue Mar 15, 2016 5:31 pm
- Forum: General discussion
- Topic: Problem in running the example of Pb metal in EPW
- Replies: 7
- Views: 10079
Re: Problem in running the example of Pb metal in EPW
Hi Artur, As you might have notice, the Pb tutorial (m) is not finished yet. I currently have other priority tasks but I will try to finish it soon. There is indeed a mistake in EPW/examples/pb/wSOC/epw I will commit a debug. You just need to change the following line in the epw.in file epbwrite = ....
- Fri Mar 11, 2016 8:20 pm
- Forum: General discussion
- Topic: Problem in running the example of Pb metal in EPW
- Replies: 7
- Views: 10079
Re: Problem in running the example of Pb metal in EPW
Hi Arthur,
The EPW code is now in the trunk of QE. This problem has been solved there.
A quick way to fix it for you now is just to recompile epw INSIDE the /src folder.
Simply issue "make" inside the EPW/src folder.
Best,
Samuel
The EPW code is now in the trunk of QE. This problem has been solved there.
A quick way to fix it for you now is just to recompile epw INSIDE the /src folder.
Simply issue "make" inside the EPW/src folder.
Best,
Samuel
- Sat Feb 20, 2016 7:12 pm
- Forum: Running the code
- Topic: Question about EPW 3.0 -physically meaningful results for Pb
- Replies: 3
- Views: 5098
Re: Question about EPW 3.0 -physically meaningful results fo
Dear Artur, We will soon release the new version of EPW: v4. This version is compatible with the latest version of QE. Most of the tutorial on the website are now related with this new version. If you want to try my development branches (not fully stable) you can do so by downloading it at svn check...
- Fri Feb 12, 2016 11:17 am
- Forum: Running the code
- Topic: Question about EPW 4.0 for 2D materials
- Replies: 5
- Views: 8210
Re: Question about EPW 4.0 for 2D materials
Dear Seungjun Lee,
If you can get reasonable values with Wannier90, you should also be able to get the same with EPW.
Indeed the EPW code calls Wannier through a library.
You should therefore have the exact same results for the Wannier part.
Be sure that you have the same input though.
If you can get reasonable values with Wannier90, you should also be able to get the same with EPW.
Indeed the EPW code calls Wannier through a library.
You should therefore have the exact same results for the Wannier part.
Be sure that you have the same input though.
- Tue Feb 09, 2016 1:51 pm
- Forum: Running the code
- Topic: Question about EPW 4.0 for 2D materials
- Replies: 5
- Views: 8210
Re: Question about EPW 4.0 for 2D materials
Dear Seungjun, Thank you for posting your question on the forum. It seems you problem is linked with Wannier90. I personally have never done 2D calculations yet. Therefore I'm not sure if something specific needs to be used within Wannier. To solve this issue you should probably try to run your calc...