From users for users

Moderators: Global Moderator, Moderator

New Topic

147 topics

Page 7 of 8
- Jump to page:
Previous
1
…
4
5
6
7
8
Next

Topics

Replies

Views

Last post

do we need to keep WAVECAR/ CHGCAR / CHG files after PBE band computed?

Last post by SKM « Thu Sep 08, 2022 5:03 pm
Replies: 2
by SKM » Mon Sep 05, 2022 1:34 am

2 Replies

18575 Views

Last post by SKM
Thu Sep 08, 2022 5:03 pm
Pseudopotentials

Last post by alexey.tal « Fri Aug 12, 2022 3:04 pm
Replies: 1
by kazeej » Fri Aug 05, 2022 5:22 pm

1 Replies

18716 Views

Last post by alexey.tal
Fri Aug 12, 2022 3:04 pm
Superconductivity

Last post by henrique_miranda « Thu Jul 28, 2022 3:33 pm
Replies: 3
by sarga_pk » Wed Jul 27, 2022 9:48 am

3 Replies

22150 Views

Last post by henrique_miranda
Thu Jul 28, 2022 3:33 pm
Dimer Method for NEB Calculations.

Last post by henrique_miranda « Wed Jul 27, 2022 6:03 am
Replies: 1
by thilini_boteju » Mon Jul 25, 2022 4:57 pm

1 Replies

16531 Views

Last post by henrique_miranda
Wed Jul 27, 2022 6:03 am
Emission spectra of materials

Last post by henrique_miranda « Mon Jul 25, 2022 12:45 pm
Replies: 3
by rishikanta_m » Fri Jul 22, 2022 12:59 pm

3 Replies

22235 Views

Last post by henrique_miranda
Mon Jul 25, 2022 12:45 pm
Using VTST-how to use nebmake.pl script

Last post by bipin_lamichhane1 « Wed Jun 29, 2022 3:16 pm
Replies: 2
by gu301purdue » Mon Jun 06, 2022 1:12 am

2 Replies

21509 Views

Last post by bipin_lamichhane1
Wed Jun 29, 2022 3:16 pm
Supercells

Last post by serenity_3 « Tue Jun 28, 2022 6:15 pm
Replies: 3
by serenity_3 » Mon Jun 27, 2022 8:45 pm

3 Replies

22963 Views

Last post by serenity_3
Tue Jun 28, 2022 6:15 pm
wrong Spin multiplicity result

Last post by fabien_tran1 « Wed Jun 22, 2022 8:24 am
Replies: 5
by min_gao » Tue Jun 21, 2022 7:50 am

5 Replies

28291 Views

Last post by fabien_tran1
Wed Jun 22, 2022 8:24 am
peculiar geometry convergence problem

Last post by martin.schlipf « Fri Jun 10, 2022 6:33 am
Replies: 13
by SKM » Fri Jun 03, 2022 11:50 am

13 Replies

58504 Views

Last post by martin.schlipf
Fri Jun 10, 2022 6:33 am
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

13965 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

14930 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

14580 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

25553 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

14390 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

19701 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

38227 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

35339 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

38024 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

42422 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

24884 Views

Last post by jcconesa
Wed Oct 13, 2021 6:11 pm

New Topic

147 topics

Page 7 of 8
- Jump to page:
Previous
1
…
4
5
6
7
8
Next

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum