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Questions and answers for Elk users

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Topic	Posts	Views	Last Post
Sticky Elk Publications By J. K. Dewhurst on Fri Jul 29, 2016 07:42 AM	25	4903	By Xin Liang Tan on Tue Mar 18, 2025 05:58 PM
Sticky HowTo: Compiling and running Elk on a multi-node server By J. K. Dewhurst on Sun Sep 01, 2019 11:49 AM	24	6382	By Sahil Sharma on Fri Jul 14, 2023 10:03 AM
Sticky HowTo: Generating crystal structures with the spacegroup code By J. K. Dewhurst on Sun Aug 18, 2019 09:50 AM	8	3767	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	2550	By Xiaomin Huang on Thu Jun 19, 2025 04:39 AM
non linear optics By Sangeeta Sharma on Thu Aug 30, 2012 07:32 AM	9	1831	By J. K. Dewhurst on Thu Dec 18, 2025 11:56 AM
Band ordering: spin polarized vs. non-collinear By Christoph Wolf on Fri Aug 17, 2018 07:06 AM	2	423	By Jerry Li on Wed Dec 10, 2025 12:40 AM
About the field and lattice paramter relation in TDDFT calculation By Zixuan Li on Fri Nov 28, 2025 07:47 AM	1	24	By Zixuan Li on Fri Nov 28, 2025 07:47 AM
The strange production of tag "tdxrmk" By Zixuan Li on Fri Nov 28, 2025 01:10 AM	1	20	By Zixuan Li on Fri Nov 28, 2025 01:10 AM
Extract the TDDFT-related data By Zixuan Li on Wed Nov 26, 2025 02:21 PM	3	30	By Zixuan Li on Thu Nov 27, 2025 09:59 AM
Laser parameter compare to the experiment By Zixuan Li on Thu Aug 07, 2025 08:41 AM	3	65	By Sangeeta Sharma on Thu Nov 27, 2025 09:47 AM
orbital polarization calculation By Long Zhang on Fri Oct 31, 2025 12:51 AM	6	104	By Long Zhang on Thu Nov 13, 2025 12:12 AM
energy unit in DOS and PDOS By Long Zhang on Tue Aug 26, 2025 02:29 AM	4	92	By Long Zhang on Thu Oct 30, 2025 11:10 PM
DOS of ferromagnetic Gd using dft+u By Long Zhang on Tue Aug 26, 2025 05:45 AM	4	126	By Long Zhang on Thu Oct 30, 2025 11:09 PM
Fixed spin moment calculations By lwollmann on Tue Aug 25, 2015 03:09 PM	3	1627	By Pankaj Verma on Tue Sep 23, 2025 10:20 AM
mBJ in latest version By Subrata Jana on Fri May 16, 2025 11:13 AM	17	281	By J. K. Dewhurst on Sat Sep 13, 2025 01:32 PM
calculation under external magnetic field. By Zhiwei Li on Sun Jul 27, 2025 04:53 AM	3	130	By Zhiwei Li on Tue Aug 26, 2025 06:45 AM
Test 028 failure since 10.3.12 By Andreas Fischer on Sun Jan 26, 2025 10:10 AM	9	238	By CY ZHUNG on Sun Aug 17, 2025 03:45 AM
generate free atom orbital in APW+lo basis? By Long Zhang on Thu Aug 14, 2025 04:23 PM	1	60	By Long Zhang on Thu Aug 14, 2025 04:23 PM
Segmentation fault elk 10.6.2 - taumt no allocated By Olle Heinonen on Mon Aug 11, 2025 10:38 PM	4	57	By J. K. Dewhurst on Tue Aug 12, 2025 08:27 PM
Cannot allocate memory. Allocation would exceed memory limit By Olle Heinonen on Tue Jun 10, 2025 03:23 PM	5	95	By J. K. Dewhurst on Tue Aug 12, 2025 08:19 AM
The calculation results of nonlinear optics are not smooth By Long Yu on Sun Aug 10, 2025 03:40 AM	1	38	By Long Yu on Sun Aug 10, 2025 03:40 AM
Does BSE calculation in Elk 6.8.4 include GW+BSE? By Aravind on Tue Feb 09, 2021 06:37 AM	1	201	By Jerry Li on Thu Aug 07, 2025 10:46 PM
libxcf03.f90:(.text+0x51b): undefined reference to `xc_func_set_fhc_e... By Yuri on Thu Jun 19, 2025 12:13 AM	6	112	By Andrew Shyichuk on Mon Aug 04, 2025 08:49 AM
How to Confirm the vkloff ? By CY ZHUNG on Tue Jul 01, 2025 06:54 AM	8	131	By TOP GUN on Sat Jul 05, 2025 02:34 AM
Discontinuity in band structure By Hyunwook Ha on Fri Mar 07, 2025 04:05 AM	2	137	By J. K. Dewhurst on Tue Jun 17, 2025 10:12 PM

1 2 3 .. 55 > >> (Page 1 of 55)

Elk Discussion

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Help

Elk Users

Elk Publications

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

HowTo: Generating crystal structures with the spacegroup code

HowTo: Making and modifying species files

non linear optics

Band ordering: spin polarized vs. non-collinear

About the field and lattice paramter relation in TDDFT calculation

The strange production of tag "tdxrmk"

Extract the TDDFT-related data

Laser parameter compare to the experiment

orbital polarization calculation

energy unit in DOS and PDOS

DOS of ferromagnetic Gd using dft+u

Fixed spin moment calculations

mBJ in latest version

calculation under external magnetic field.

Test 028 failure since 10.3.12

generate free atom orbital in APW+lo basis?

Segmentation fault elk 10.6.2 - taumt no allocated

Cannot allocate memory. Allocation would exceed memory limit

The calculation results of nonlinear optics are not smooth

Does BSE calculation in Elk 6.8.4 include GW+BSE?

libxcf03.f90:(.text+0x51b): undefined reference to `xc_func_set_fhc_e...

How to Confirm the vkloff ?

Discontinuity in band structure

Elk Discussion

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Help

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