From Users for Users

Moderators: Global Moderator, Moderator

New Topic

34 topics

Topics

Replies

Views

Last post

Pseudopotentials

Last post by kazeej « Fri Aug 05, 2022 5:22 pm

by kazeej » Fri Aug 05, 2022 5:22 pm

0 Replies

87 Views

Last post by kazeej
Fri Aug 05, 2022 5:22 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

795 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

312 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

521 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

1023 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

688 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

947 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

2521 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

1808 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

993 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

1097 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

2103 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

1821 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

1449 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

1610 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

1960 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

1543 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

3828 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

2076 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

2889 Views

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

New Topic

34 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