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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

9715 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

12667 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

28153 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

26582 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

26536 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

31850 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

18514 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

16146 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

17306 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

19327 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

35432 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

18615 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

22028 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

20209 Views

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

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