Elk Discussion

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Questions and answers for Elk developers

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Topic	Posts	Views	Last Post
Regarding ambiguous generation of KPOINTS.OUT file By Trishu Verma on Mon Sep 15, 2025 05:39 AM	4	93	By Trishu Verma on Thu Sep 18, 2025 09:30 AM
task-63 Wave function plotting error By Long Yu on Mon Aug 11, 2025 06:08 PM	4	183	By J. K. Dewhurst on Tue Aug 12, 2025 08:01 AM
Plot of "bare" electron momentum densities By Malte Sachs on Sun May 04, 2025 10:01 AM	2	84	By J. K. Dewhurst on Mon Aug 11, 2025 10:19 PM
libxcf03.f90 -> libxcf90.f90 revert in 10.4.9 By Michael Banck on Sun Mar 30, 2025 11:38 AM	2	62	By J. K. Dewhurst on Wed Apr 23, 2025 04:41 PM
Elk optics plotter By René Wirnata on Sat Mar 02, 2019 08:37 PM	3	354	By René Wirnata on Tue Apr 08, 2025 06:17 PM
Condon-Slater parameters calculation By Milorad Baytemirov on Tue Mar 11, 2025 10:44 AM	1	74	By Milorad Baytemirov on Tue Mar 11, 2025 10:44 AM
Problem about the Ehrenfest dynamics (462) By xuexin You on Thu Feb 27, 2025 03:21 AM	1	79	By xuexin You on Thu Feb 27, 2025 03:21 AM
spack package maintainer -- volunteers? By Simppa Akaslompolo on Wed Dec 18, 2024 08:51 AM	9	252	By A. Castaneda M. on Thu Jan 16, 2025 02:40 PM
Dependency modxcifc.f90 --> libxcifc.o By Simppa Akaslompolo on Wed Dec 18, 2024 09:42 AM	2	85	By J. K. Dewhurst on Wed Dec 18, 2024 09:58 AM
Support libxc fortran 2003 interface By marcindulak on Mon Oct 14, 2024 07:52 AM	6	666	By J. K. Dewhurst on Fri Oct 18, 2024 05:27 PM
Support for libxc version 7, together with older versions By marcindulak on Mon Oct 14, 2024 07:46 AM	3	502	By J. K. Dewhurst on Fri Oct 18, 2024 02:53 PM
libxc 5 not supported by elk 8.826 By marcindulak on Sat Jun 10, 2023 01:30 PM	4	428	By marcindulak on Mon Oct 14, 2024 07:48 AM
Does Elk use Lloyd's formula accurate determination of the Fermi level? By Jerry Li on Thu Oct 10, 2024 02:58 AM	2	170	By Peter Elliott on Fri Oct 11, 2024 04:53 PM
how to perform the relaxation for the 2d materials(fix the c directio... By liupingwei on Tue May 07, 2024 02:17 AM	2	204	By J. K. Dewhurst on Wed Sep 25, 2024 07:15 AM
Complex Hermitian eigensolver By Ali Kefayati on Wed Jun 19, 2024 03:02 AM	2	138	By J. K. Dewhurst on Fri Aug 16, 2024 12:52 PM
Is there a bug in genppt when mapping the k points to the first Brill... By Youzhao Lan on Sat Jun 22, 2024 12:11 AM	2	91	By J. K. Dewhurst on Fri Aug 16, 2024 09:38 AM
Questions about magnetic-flux trapping using ELK By Yajun Zhang on Fri Mar 15, 2024 10:45 PM	2	142	By J. K. Dewhurst on Mon Apr 15, 2024 09:16 AM
Minor bug in Wannier90 input parsing By Andrew Shyichuk on Tue Feb 27, 2024 04:26 PM	2	131	By J. K. Dewhurst on Tue Mar 05, 2024 10:14 AM
Compton profile By Wuxuan Li on Thu Feb 29, 2024 07:12 AM	1	125	By Wuxuan Li on Thu Feb 29, 2024 07:12 AM
(no subject) By Wuxuan Li on Wed Dec 27, 2023 02:10 AM	3	168	By J. K. Dewhurst on Wed Feb 21, 2024 09:12 AM
Separate specie files for the most common rare earth ions By Vitaliy Romaka on Tue Jan 23, 2024 08:02 PM	7	289	By Vitaliy Romaka on Wed Jan 24, 2024 11:13 AM
Noncollinear ground state of heterostructures By Ali Kefayati on Sun Aug 20, 2023 10:35 PM	3	261	By Ali Kefayati on Sat Nov 25, 2023 04:26 AM
Segfault 11, when running with tasks=400 and inpdftu=5 By Marjana Lezaic on Tue Aug 22, 2023 10:11 AM	2	338	By J. K. Dewhurst on Wed Nov 15, 2023 07:07 PM
Order of orbitals in DMATMT.OUT By Anonymous on Thu Jul 27, 2023 08:15 AM	3	217	By Anonymous on Thu Sep 14, 2023 03:46 PM
Different tddft magnetic behaviors between elk-8.5.10 and elk-8.8.26 By ylguo on Wed Jun 21, 2023 08:22 AM	3	833	By ylguo on Mon Jul 03, 2023 02:10 PM

1 2 3 .. 9 > >> (Page 1 of 9)

Elk Discussion

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Elk Developers

Regarding ambiguous generation of KPOINTS.OUT file

task-63 Wave function plotting error

Plot of "bare" electron momentum densities

libxcf03.f90 -> libxcf90.f90 revert in 10.4.9

Elk optics plotter

Condon-Slater parameters calculation

Problem about the Ehrenfest dynamics (462)

spack package maintainer -- volunteers?

Dependency modxcifc.f90 --> libxcifc.o

Support libxc fortran 2003 interface

Support for libxc version 7, together with older versions

libxc 5 not supported by elk 8.826

Does Elk use Lloyd's formula accurate determination of the Fermi level?

how to perform the relaxation for the 2d materials(fix the c directio...

Complex Hermitian eigensolver

Is there a bug in genppt when mapping the k points to the first Brill...

Questions about magnetic-flux trapping using ELK

Minor bug in Wannier90 input parsing

Compton profile

(no subject)

Separate specie files for the most common rare earth ions

Noncollinear ground state of heterostructures

Segfault 11, when running with tasks=400 and inpdftu=5

Order of orbitals in DMATMT.OUT

Different tddft magnetic behaviors between elk-8.5.10 and elk-8.8.26

Elk Discussion

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Help

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