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Initial positive energy in HSE06 band structure calculations

Last post by alexey.tal « Tue Mar 29, 2022 11:34 am
Replies: 1
by ruva17 » Wed Jan 12, 2022 1:25 pm

1 Replies

16994 Views

Last post by alexey.tal
Tue Mar 29, 2022 11:34 am
About rescaling k-point grid in supercell calculations

Last post by ferenc_karsai « Mon Mar 07, 2022 7:10 am
Replies: 1
by alpinnovianus » Sun Mar 06, 2022 12:55 pm

1 Replies

18703 Views

Last post by ferenc_karsai
Mon Mar 07, 2022 7:10 am
Sharing bash scripts about post processing

Last post by marie-therese.huebsch « Thu Feb 10, 2022 6:12 am
Replies: 1
by Jatin19k » Fri Feb 04, 2022 2:01 am

1 Replies

18198 Views

Last post by marie-therese.huebsch
Thu Feb 10, 2022 6:12 am
question on the wiki example on magnetic coupling J

Last post by fabien_tran1 « Thu Jan 13, 2022 9:34 am
Replies: 5
by alpinnovianus » Thu Jan 06, 2022 5:11 pm

5 Replies

31816 Views

Last post by fabien_tran1
Thu Jan 13, 2022 9:34 am
Inconsistency in band structure and PDOS

Last post by fabien_tran1 « Mon Jan 03, 2022 8:55 am
Replies: 1
by akankshaashok_sangolkar » Sun Jan 02, 2022 6:11 pm

1 Replies

18228 Views

Last post by fabien_tran1
Mon Jan 03, 2022 8:55 am
Bandstructure by hybrid functional

Last post by IBRAHIM « Mon Dec 27, 2021 6:31 am
Replies: 3
by IBRAHIM » Tue Dec 21, 2021 1:20 pm

3 Replies

25010 Views

Last post by IBRAHIM
Mon Dec 27, 2021 6:31 am
Hyperfine calculation

Last post by henrique_miranda « Mon Dec 06, 2021 8:54 am
Replies: 5
by pooja_gangare » Wed Dec 01, 2021 6:34 am

5 Replies

44588 Views

Last post by henrique_miranda
Mon Dec 06, 2021 8:54 am
About the NELECT tag and its formulation

Last post by henrique_miranda « Wed Nov 17, 2021 7:50 pm
Replies: 5
by alpinnovianus » Tue Nov 16, 2021 2:40 am

5 Replies

41892 Views

Last post by henrique_miranda
Wed Nov 17, 2021 7:50 pm
Lattice constant deviation

Last post by IBRAHIM « Wed Nov 17, 2021 4:01 am
Replies: 7
by IBRAHIM » Mon Nov 08, 2021 6:51 am

7 Replies

46016 Views

Last post by IBRAHIM
Wed Nov 17, 2021 4:01 am
Can not download p4vasp

Last post by martin.schlipf « Thu Nov 11, 2021 7:36 am
Replies: 6
by nimali_rathnayake » Mon Sep 06, 2021 5:52 am

6 Replies

50478 Views

Last post by martin.schlipf
Thu Nov 11, 2021 7:36 am
downloading nvhpc software

Last post by jcconesa « Wed Oct 13, 2021 6:11 pm
Replies: 2
by jcconesa » Mon Oct 11, 2021 6:38 pm

2 Replies

29724 Views

Last post by jcconesa
Wed Oct 13, 2021 6:11 pm
How efficient is VASP for calculating the optical properties of nanoclusters with high vacuum spacing?

Last post by henrique_miranda « Tue Oct 05, 2021 6:48 am
Replies: 1
by purbajyoti_bhagowati1 » Fri Oct 01, 2021 11:23 am

1 Replies

26817 Views

Last post by henrique_miranda
Tue Oct 05, 2021 6:48 am
Optimal Parallelisation on VSC-4

Last post by ferenc_karsai « Wed Sep 08, 2021 1:37 pm
Replies: 1
by lukas_reicht » Wed Sep 08, 2021 11:51 am

1 Replies

28538 Views

Last post by ferenc_karsai
Wed Sep 08, 2021 1:37 pm
Calculating Formation Energies using DFT + U

Last post by rmz4ed « Mon Aug 23, 2021 1:02 pm
Replies: 2
by rmz4ed » Thu Aug 19, 2021 12:31 am

2 Replies

32255 Views

Last post by rmz4ed
Mon Aug 23, 2021 1:02 pm
To GPU or not to GPU

Last post by henrique_miranda « Mon Jul 05, 2021 8:37 am
Replies: 2
by wojtek_gierlotka » Fri Jul 02, 2021 2:46 am

2 Replies

47762 Views

Last post by henrique_miranda
Mon Jul 05, 2021 8:37 am
Running VASP on full 1 node using srun

Last post by henrique_miranda « Mon Feb 22, 2021 6:33 am
Replies: 1
by Barbara_Szpunar1 » Sat Feb 20, 2021 5:01 pm

1 Replies

30621 Views

Last post by henrique_miranda
Mon Feb 22, 2021 6:33 am
vanderWaals interactions (IVDW) and consistency

Last post by alexandrosvasi « Tue Feb 09, 2021 10:04 pm
Replies: 3
by alexandrosvasi » Mon Feb 01, 2021 10:26 am

3 Replies

38362 Views

Last post by alexandrosvasi
Tue Feb 09, 2021 10:04 pm
Visualization of OUTCAR in VASP6.1

Last post by xinxin_tian3 « Sat Jan 09, 2021 4:24 pm
Replies: 2
by xinxin_tian3 » Thu Dec 10, 2020 10:07 am

2 Replies

32459 Views

Last post by xinxin_tian3
Sat Jan 09, 2021 4:24 pm

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