From Users for Users

Moderators: Global Moderator, Moderator

New Topic

30 topics

Topics

Replies

Views

Last post

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

291 Views

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

Last post by weronika_walkosz3 « Tue Jun 28, 2022 6:15 pm
Replies: 3
by weronika_walkosz3 » Mon Jun 27, 2022 8:45 pm

3 Replies

96 Views

Last post by weronika_walkosz3
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

324 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

1417 Views

Last post by martin.schlipf
Fri Jun 10, 2022 6:33 am
The space group of a system with and without SOC.

Last post by hszhao.cn@gmail.com « Fri Apr 01, 2022 7:32 am

by hszhao.cn@gmail.com » Fri Apr 01, 2022 7:32 am

0 Replies

1371 Views

Last post by hszhao.cn@gmail.com
Fri Apr 01, 2022 7:32 am
About the non-collinear projected magnetization formula used by vasp.

Last post by hszhao.cn@gmail.com « Fri Apr 01, 2022 7:06 am

by hszhao.cn@gmail.com » Fri Apr 01, 2022 7:06 am

0 Replies

607 Views

Last post by hszhao.cn@gmail.com
Fri Apr 01, 2022 7:06 am
Multiplicity Factor from KPOINTS

Last post by Vasp1a « Tue Mar 29, 2022 12:21 pm

by Vasp1a » Tue Mar 29, 2022 12:21 pm

0 Replies

708 Views

Last post by Vasp1a
Tue Mar 29, 2022 12:21 pm
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

1627 Views

Last post by alexey.tal
Tue Mar 29, 2022 11:34 am
Underestimation of hyperfine constant

Last post by hongyang_ma « Fri Mar 25, 2022 7:50 am
Replies: 2
by hongyang_ma » Mon Mar 21, 2022 6:29 am

2 Replies

1285 Views

Last post by hongyang_ma
Fri Mar 25, 2022 7:50 am
Binding energies in VASP

Last post by alex « Fri Mar 18, 2022 7:49 am
Replies: 1
by madhu_menon2 » Wed Mar 16, 2022 9:24 pm

1 Replies

1009 Views

Last post by alex
Fri Mar 18, 2022 7:49 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

1149 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

1540 Views

Last post by marie-therese.huebsch
Thu Feb 10, 2022 6:12 am
VASP6.21_Instalation

Last post by gul_rahman_pak « Wed Jan 26, 2022 5:33 pm

by gul_rahman_pak » Wed Jan 26, 2022 5:33 pm

0 Replies

1204 Views

Last post by gul_rahman_pak
Wed Jan 26, 2022 5:33 pm
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

3252 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

1670 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

2458 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

13857 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

9177 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

10124 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

11293 Views

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

New Topic

30 topics

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