Search found 30 matches

by yq_zhao
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 ...
by yq_zhao
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 --- ...
by yq_zhao
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 ...
by yq_zhao
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 ...
by yq_zhao
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
by yq_zhao
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
by 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 ...
by yq_zhao
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
by 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 ...
by yq_zhao
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 ...