Search found 30 matches
- Mon Sep 30, 2024 2:45 am
- Forum: Running the code
- Topic: How to obtain the mode-resolved Eliashberg spectral functions for the other smearing values
- Replies: 1
- Views: 1123
How to obtain the mode-resolved Eliashberg spectral functions for the other smearing values
Hi new developer When I run the EPW example for MgB2, I obtain two output files: `MgB2.α2f` and `MgB2.α2f_proj`. However, the `MgB2.a2f_proj` file only contains the mode-resolved Eliashberg spectral functions corresponding to the first smearing value in `MgB2.α2f`. How can I obtain the mode-resolved ...
- Fri Aug 30, 2024 1:16 pm
- Forum: Running the code
- Topic: An interruption may occur during the calculation of irreducible q point
- Replies: 1
- Views: 1379
An interruption may occur during the calculation of irreducible q point
Hi epw developer I am using the 5.8 version of epw to calculate superconducting temperature, and have some problems running epw.x. epw.x has completed the calculation of wannier90, and an error may be reported during the calculation of “irreducible q point” this is the error --- ...
- Sun Aug 25, 2024 3:47 am
- Forum: Running the code
- Topic: Error in `/lustre/home/rencong/qe-7.3.1/EPW/bin/epw.x': corrupted size vs. prev_size: 0x0000000005f42a00
- Replies: 2
- Views: 1777
Re: Error in `/lustre/home/rencong/qe-7.3.1/EPW/bin/epw.x': corrupted size vs. prev_size: 0x0000000005f42a00
Hi Shashi Thanks for your reply I followed your advice and modified froz_max. The Wannier Center expansion did shrink, but it was of limited help in resolving errors. I even modified the Froz window range to 0,1 eV near the Fermi level, and the resulting Wannier center extension is: MMN calculated ...
- Tue Aug 20, 2024 12:52 pm
- Forum: Running the code
- Topic: Error in `/lustre/home/rencong/qe-7.3.1/EPW/bin/epw.x': corrupted size vs. prev_size: 0x0000000005f42a00
- Replies: 2
- Views: 1777
Error in `/lustre/home/rencong/qe-7.3.1/EPW/bin/epw.x': corrupted size vs. prev_size: 0x0000000005f42a00
Dear developers, I am using the 5.8 version of epw to calculate superconducting temperature, andI have run through pw, ph and w90, but failed when calculating the electron-phonon matrix elements. The error message is listed as follows. Could you please tell me how to fix this problem? Thank you very ...
- Thu Jul 06, 2023 6:21 am
- Forum: Running the code
- Topic: forrtl: severe (174): SIGSEGV, segmentation fault occurred
- Replies: 6
- Views: 16045
Re: forrtl: severe (174): SIGSEGV, segmentation fault occurred
Hi Gyanu
I set 'nosym=.false.' in my nscf.in, Then you encounter the following error:
Error in routine epw_setup (1):
coarse k-mesh needs to be strictly positive in 1st BZ
I set 'nosym=.false.' in my nscf.in, Then you encounter the following error:
Error in routine epw_setup (1):
coarse k-mesh needs to be strictly positive in 1st BZ
- Fri Jun 30, 2023 1:26 pm
- Forum: Running the code
- Topic: forrtl: severe (174): SIGSEGV, segmentation fault occurred
- Replies: 6
- Views: 16045
Re: forrtl: severe (174): SIGSEGV, segmentation fault occurred
Hi Roxana
I followed your advice and changed to the latest version of epw.x5.7 for recalculation. Unfortunately, the error still exists.
setting 'calculation = scf' is my input error, but in the calculation process was setting 'calculation=nscf'
yq_zhao
I followed your advice and changed to the latest version of epw.x5.7 for recalculation. Unfortunately, the error still exists.
setting 'calculation = scf' is my input error, but in the calculation process was setting 'calculation=nscf'
yq_zhao
- Mon Jun 26, 2023 5:39 am
- Forum: Running the code
- Topic: forrtl: severe (174): SIGSEGV, segmentation fault occurred
- Replies: 6
- Views: 16045
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Hi, epw user I am using the 5.6 version of epw to calculate superconducting temperature, and have some problems running epw.x for PbTaSe2. this is the error in epw.out : AMN k points = 576 in 24 pools 1 of 24 on ionode 2 of 24 on ionode 3 of 24 on ionode 4 of 24 on ionode 5 of 24 on ionode 6 of 24 ...
- Sun Apr 30, 2023 6:23 am
- Forum: Running the code
- Topic: Error in routine efermig (1): internal error, cannot bracket Ef
- Replies: 3
- Views: 14323
Re: Error in routine efermig (1): internal error, cannot bracket Ef
Hi H.Lee
The wout file has a total of 82691 lines. I put the file in the compressed package, please have a look
Sincerely,
yq_zhao
The wout file has a total of 82691 lines. I put the file in the compressed package, please have a look
Sincerely,
yq_zhao
- Sun Apr 30, 2023 2:16 am
- Forum: Running the code
- Topic: Error in routine efermig (1): internal error, cannot bracket Ef
- Replies: 3
- Views: 14323
Re: Error in routine efermig (1): internal error, cannot bracket Ef
Dear H.Lee thanks for your repeat ``:oss/ `.+s+. .+ys--yh+ `./ss+. -sh//yy+` +yy +yy -+h+-oyy -yh- .oyy/.-sh. .syo-.:sy- /yh `.-.` `yh+ -oyyyo. `/syys: oys `.` `/+ssys+-` `sh+ ` oys` .:osyo` -yh- ./syyooyo` .sys+/oyo--yh/ `yy+ .-:-. `-/+/:` -sh- /yh. oys ``..---hho ...
- Fri Apr 28, 2023 8:43 am
- Forum: Running the code
- Topic: Error in routine efermig (1): internal error, cannot bracket Ef
- Replies: 3
- Views: 14323
Error in routine efermig (1): internal error, cannot bracket Ef
Dear Developers, I tried to use EPW 5.5 to calculate the superconducting properties and met a running error with the information, Could you please tell me how to fix this problem? Thank you! Bloch2wane: 72 / 72 Bloch2wanp: 1 / 5 Bloch2wanp: 2 / 5 Bloch2wanp: 3 / 5 Bloch2wanp: 4 / 5 Bloch2wanp: 5 / 5 ...