Elk Discussion

Brought to you by: jkdewhurst, sangeetasharma

Elk Users

Questions and answers for Elk users

1 2 3 .. 53 > >> (Page 1 of 53)

Topic	Posts	Views	Last Post
Sticky HowTo: Compiling and running Elk on a multi-node server By J. K. Dewhurst on Sun Sep 01, 2019 11:49 AM	24	5316	By Sahil Sharma on Fri Jul 14, 2023 10:03 AM
Sticky Elk Publications By J. K. Dewhurst on Fri Jul 29, 2016 07:42 AM	24	4366	By TOP GUN on Tue Apr 11, 2023 03:01 AM
Sticky HowTo: Generating crystal structures with the spacegroup code By J. K. Dewhurst on Sun Aug 18, 2019 09:50 AM	8	2367	By ZXY on Mon Nov 15, 2021 09:10 AM
Sticky HowTo: Making and modifying species files By J. K. Dewhurst on Sat Aug 24, 2019 12:45 PM	7	1744	By J. K. Dewhurst on Sat Aug 24, 2019 01:16 PM
The effects of tdmag3d and plot3d on the magnetic moment By ylguo on Tue Oct 29, 2024 09:06 AM	3	45	By ylguo on Thu Oct 31, 2024 09:03 AM
running task 460 with the spinsprl By yrlu on Wed Oct 09, 2024 01:06 PM	2	80	By J. K. Dewhurst on Fri Oct 18, 2024 02:44 PM
Doubt about Geometric Optimization By Levy Scalise on Mon Oct 07, 2024 09:23 PM	2	46	By J. K. Dewhurst on Tue Oct 08, 2024 08:39 AM
Silicon dielectric function By den ct on Wed Sep 25, 2024 04:36 PM	3	60	By den ct on Mon Oct 07, 2024 01:31 PM
Electron-Phonon coupling with spin-orbit interaction By Sai Mu on Mon Oct 09, 2017 10:17 PM	4	345	By J. K. Dewhurst on Sun Oct 06, 2024 03:12 PM
Elk-9.6.8 - Inconsistent gradients type By Joélito dos Santos de Jesus on Thu Sep 12, 2024 12:10 AM	3	65	By J. K. Dewhurst on Sun Sep 29, 2024 09:00 PM
DFT-D3 method By Earl Hummocks on Sun Sep 29, 2024 12:59 PM	3	52	By Earl Hummocks on Sun Sep 29, 2024 07:24 PM
Warning(occupy): minimum eigenvalue less than minimum linearisation e... By Pudding on Thu Sep 19, 2024 09:00 PM	4	61	By Pudding on Tue Sep 24, 2024 08:35 PM
Fluxogram about the fortran functions By Levy Scalise on Thu Sep 12, 2024 10:36 AM	2	56	By J. K. Dewhurst on Sat Sep 21, 2024 10:12 AM
The unit of nonlinear optical? By liyuze on Fri Sep 20, 2024 12:35 PM	1	30	By liyuze on Fri Sep 20, 2024 12:35 PM
ELNES Calculation Ti L23 edge By Von Braun Nascimento on Wed Sep 11, 2024 12:49 PM	2	50	By Markus on Fri Sep 20, 2024 07:21 AM
Crystal field parameters \| Steven's operators By George Yumnam on Thu Aug 15, 2024 03:26 PM	2	58	By J. K. Dewhurst on Sun Sep 08, 2024 03:59 PM
Failing to restart a TDDFT-time-evolution jab in ELK By ycchen on Wed Aug 28, 2024 11:10 AM	2	55	By J. K. Dewhurst on Sun Sep 08, 2024 03:49 PM
How to get the momentum matrix elements. By Vivek Pandey on Mon Jun 24, 2024 01:02 PM	5	154	By J. K. Dewhurst on Fri Aug 23, 2024 09:25 AM
How to restart a TDDFT-time-evolution jab in ELK By Junjie He on Mon Dec 09, 2019 03:23 PM	7	952	By yrlu on Thu Jul 25, 2024 03:22 AM
HSE Hybrid failing, PBE0 runs, libxc hybrid test works elk-9.6.8 By Ronald Cohen on Thu Jul 11, 2024 07:40 PM	5	100	By Ronald Cohen on Fri Jul 19, 2024 04:57 PM
Unstable on FreeBSD: random crashes By Yuri on Mon Jun 17, 2024 11:38 PM	3	83	By Markus on Mon Jun 24, 2024 10:19 AM
Calculations 偶发 By zhaobo zhou on Fri Jun 21, 2024 02:28 PM	1	78	By zhaobo zhou on Fri Jun 21, 2024 02:28 PM
TD Hamiltonian By Ali Kefayati on Sat May 25, 2024 09:11 PM	8	99	By Ali Kefayati on Fri Jun 14, 2024 08:15 PM
Warning(phonon): failed to reach self-consistency after 200 loops By Neelam Yedukondalu on Thu Dec 26, 2019 03:00 AM	5	469	By Jerry Li on Fri Jun 07, 2024 01:52 AM
Problems with Convergence in Hexagonal Manganites HoMnO3 By Levy Scalise on Fri Mar 29, 2024 01:10 PM	4	137	By Levy Scalise on Thu Jun 06, 2024 07:08 PM

1 2 3 .. 53 > >> (Page 1 of 53)

Elk Discussion

Forums

Help

Elk Users

HowTo: Compiling and running Elk on a multi-node server

Elk Publications

HowTo: Generating crystal structures with the spacegroup code

HowTo: Making and modifying species files

The effects of tdmag3d and plot3d on the magnetic moment

running task 460 with the spinsprl

Doubt about Geometric Optimization

Silicon dielectric function

Electron-Phonon coupling with spin-orbit interaction

Elk-9.6.8 - Inconsistent gradients type

DFT-D3 method

Warning(occupy): minimum eigenvalue less than minimum linearisation e...

Fluxogram about the fortran functions

The unit of nonlinear optical?

ELNES Calculation Ti L23 edge

Crystal field parameters | Steven's operators

Failing to restart a TDDFT-time-evolution jab in ELK

How to get the momentum matrix elements.

How to restart a TDDFT-time-evolution jab in ELK

HSE Hybrid failing, PBE0 runs, libxc hybrid test works elk-9.6.8

Unstable on FreeBSD: random crashes

Calculations 偶发

TD Hamiltonian

Warning(phonon): failed to reach self-consistency after 200 loops

Problems with Convergence in Hexagonal Manganites HoMnO3

Elk Discussion

Forums

Help

Elk Users document.SUBSCRIPTION_OPTIONS = { "thing": "forum", "subscribed": false, "url": "subscribe_to_forum", "icon": { "css": "fa fa-envelope-o" } };

Elk Users