Dear 1504463450:
Since QE v6.6, iotk is not used any more in both QE and EPW.
Could you try the recent version of QE and EPW, for instance, QE v7.1 and EPW v5.5?
Sincerely,
H. Lee
Search found 415 matches
- Fri Sep 30, 2022 7:59 pm
- Forum: Running the code
- Topic: There was an error running the example MgB2
- Replies: 2
- Views: 1519
- Fri Sep 23, 2022 5:58 pm
- Forum: Running the code
- Topic: Error while trying to restart with epbread = .true.
- Replies: 1
- Views: 1793
Re: Error while trying to restart with epbread = .true.
Dear al7:
Since EPW v5.4, kmaps is removed: https://docs.epw-code.org/doc/Releases.html#epw-v5-4
Sincerely,
H. Lee
Since EPW v5.4, kmaps is removed: https://docs.epw-code.org/doc/Releases.html#epw-v5-4
Sincerely,
H. Lee
- Thu Sep 15, 2022 6:04 pm
- Forum: Running the code
- Topic: Error in routine calbec (3): size mismatch
- Replies: 3
- Views: 1548
Re: Error in routine calbec (3): size mismatch
Dear huisext:
The number of atoms (nat=6), the number of Wannier functions (nbndsub=5), and the projection (proj(1) = 'C:pz' in your case) should be consistent to each other.
Sincerely,
H. Lee
The number of atoms (nat=6), the number of Wannier functions (nbndsub=5), and the projection (proj(1) = 'C:pz' in your case) should be consistent to each other.
Sincerely,
H. Lee
- Thu Sep 01, 2022 3:48 pm
- Forum: General discussion
- Topic: Regarding error: forrtl: severe (24): end-of-file during read, unit 5, file /proc/36988/fd/0
- Replies: 2
- Views: 2049
Re: Regarding error: forrtl: severe (24): end-of-file during read, unit 5, file /proc/36988/fd/0
Dear Sahil Dani:
lambda.x is not included in the EPW package.
So you need to post this question on the Quantum ESPRESSO user forum (https://lists.quantum-espresso.org/mail ... info/users).
Sincerely,
H. Lee
lambda.x is not included in the EPW package.
So you need to post this question on the Quantum ESPRESSO user forum (https://lists.quantum-espresso.org/mail ... info/users).
Sincerely,
H. Lee
- Wed Aug 31, 2022 10:36 pm
- Forum: General discussion
- Topic: About Erro :end-of-file during read, unit 5, file
- Replies: 12
- Views: 9948
Re: About Erro :end-of-file during read, unit 5, file
Dear Prarena Jamwal:
lambda.x is not included in the EPW package.
So you need to post this question on the Quantum ESPRESSO user forum (https://lists.quantum-espresso.org/mail ... info/users).
Sincerely,
H. Lee
lambda.x is not included in the EPW package.
So you need to post this question on the Quantum ESPRESSO user forum (https://lists.quantum-espresso.org/mail ... info/users).
Sincerely,
H. Lee
- Mon Aug 29, 2022 3:38 pm
- Forum: Running the code
- Topic: stop in "Running Wannier90" and donnot update
- Replies: 3
- Views: 1676
Re: stop in "Running Wannier90" and donnot update
Dear huisext:
I guess there is an issue with building Wannier90 (W90); currently, the library mode of W90 doesn't work in parallel.
Could you show me make.inc in the root directory of Wanier90 under Quantum ESPRESSO?
Sincerely,
H. Lee
I guess there is an issue with building Wannier90 (W90); currently, the library mode of W90 doesn't work in parallel.
Could you show me make.inc in the root directory of Wanier90 under Quantum ESPRESSO?
Sincerely,
H. Lee
- Mon Aug 22, 2022 8:21 pm
- Forum: Running the code
- Topic: Error on k+q does not fall on k-grid
- Replies: 1
- Views: 1388
Re: Error on k+q does not fall on k-grid
Dear jameszt: This is a well-known issue with EPW which usually arises when (1) we use relaxed structures, (2) there are differences in the number of significant digits of floating-point numbers, etc. and basically it is due to the floating-point representation. I am working on addressing it in the ...
- Thu Jul 28, 2022 5:28 pm
- Forum: General discussion
- Topic: direct evaluation of electron-phonon matrix element is not working
- Replies: 5
- Views: 4523
Re: direct evaluation of electron-phonon matrix element is not working
Dear Sourav Rudra:
This code is not automatically built by issuing "make all" .
So, you need to compile the code separately.
Please issue "make" under the directory of q-e-qe-7.1/test-suite/not_epw_comp after building pw.x and ph.x .
Sincerely,
H. Lee
This code is not automatically built by issuing "make all" .
So, you need to compile the code separately.
Please issue "make" under the directory of q-e-qe-7.1/test-suite/not_epw_comp after building pw.x and ph.x .
Sincerely,
H. Lee
- Mon Jul 25, 2022 2:33 pm
- Forum: Running the code
- Topic: Error in fildvscf with Hubbard U correction.
- Replies: 1
- Views: 1599
Re: Error in fildvscf with Hubbard U correction.
Dear choi90:
More importantly, currently, EPW doesn't support the calculations with Hubbard U correction.
Sincerely,
H. Lee
No. EPW needs the perturbing potential from ph.x.Is there any way to epw calculation without "fildvscf = 'dvscf'"?
More importantly, currently, EPW doesn't support the calculations with Hubbard U correction.
Sincerely,
H. Lee
- Mon Jul 25, 2022 2:30 pm
- Forum: General discussion
- Topic: direct evaluation of electron-phonon matrix element is not working
- Replies: 5
- Views: 4523
Re: direct evaluation of electron-phonon matrix element is not working
Dear Sourav Rudra: For this tutorial, you should NOT use ph.x in the directory of PHonon/PH, but use my modified version in the directory of test-suite/not_epw_comp after building it. For details, please see the exercise 2 of the document at https://drive.google.com/file/d/12wxuv5JM7V-zvl5wnVFDi02SG...