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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

95 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

1272 Views

Last post by martin.schlipf
Fri Jun 10, 2022 6:33 am
Using VTST-how to use nebmake.pl script

Last post by martin.schlipf « Tue Jun 07, 2022 9:47 am
Replies: 1
by gu301purdue » Mon Jun 06, 2022 1:12 am

1 Replies

146 Views

Last post by martin.schlipf
Tue Jun 07, 2022 9:47 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

1322 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

568 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

649 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

1562 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

1192 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

927 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

1076 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

1490 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

1157 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

3129 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

1633 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

2356 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

13803 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

9061 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

10042 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

11191 Views

Last post by martin.schlipf
Thu Nov 11, 2021 7:36 am
Friction from linear response

Last post by paulfons « Mon Nov 01, 2021 7:20 am

by paulfons » Mon Nov 01, 2021 7:20 am

0 Replies

6896 Views

Last post by paulfons
Mon Nov 01, 2021 7:20 am

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