Using VASP

Moderators: Global Moderator, Moderator

New Topic

5329 topics

Page 116 of 267
- Jump to page:
Previous
1
…
114
115
116
117
118
…
267
Next

Topics

Replies

Views

Last post

Spinors in vasp 6.2.1 with Wannier90 3.1.0

Last post by yang-hao_chan1 « Fri Jan 14, 2022 5:58 am
Replies: 2
by yang-hao_chan1 » Thu Dec 23, 2021 3:26 pm

2 Replies

6532 Views

Last post by yang-hao_chan1
Fri Jan 14, 2022 5:58 am
LTRIPLET in SOC calculation

Last post by alexey.tal « Thu Jan 13, 2022 3:52 pm
Replies: 1
by yuanchang_li » Wed Jan 12, 2022 1:21 pm

1 Replies

2754 Views

Last post by alexey.tal
Thu Jan 13, 2022 3:52 pm
Charge surface calculation

Last post by fabien_tran1 « Tue Jan 11, 2022 9:44 am
Replies: 1
by tanay11 » Mon Jan 10, 2022 11:08 pm

1 Replies

3154 Views

Last post by fabien_tran1
Tue Jan 11, 2022 9:44 am
Charge surface calculation using NELECT

Last post by fabien_tran1 « Tue Jan 11, 2022 9:42 am
Replies: 5
by tanay11 » Mon Dec 27, 2021 11:35 pm

5 Replies

5914 Views

Last post by fabien_tran1
Tue Jan 11, 2022 9:42 am
BSE and GW optical and structure post processing

Last post by SKM « Mon Jan 10, 2022 2:10 pm
Replies: 14
by SKM » Sat Sep 04, 2021 12:29 pm

14 Replies

20529 Views

Last post by SKM
Mon Jan 10, 2022 2:10 pm
BSE dielectric function of spin-polarization systems

Last post by marie-therese.huebsch « Mon Jan 10, 2022 12:58 pm
Replies: 3
by yuanchang_li » Fri Dec 10, 2021 2:24 am

3 Replies

4937 Views

Last post by marie-therese.huebsch
Mon Jan 10, 2022 12:58 pm
Weird convergence issue involving band occupation problem

Last post by fabien_tran1 « Mon Jan 03, 2022 9:41 pm
Replies: 3
by meng-fu_chen » Fri Dec 24, 2021 1:52 pm

3 Replies

4879 Views

Last post by fabien_tran1
Mon Jan 03, 2022 9:41 pm
PROCAR file issues with HCP lattice structures.

Last post by fabien_tran1 « Mon Jan 03, 2022 9:54 am
Replies: 7
by grace_osullivan » Mon Dec 27, 2021 10:55 am

7 Replies

7444 Views

Last post by fabien_tran1
Mon Jan 03, 2022 9:54 am
band occupation

Last post by IBRAHIM « Mon Dec 27, 2021 12:28 pm
Replies: 4
by IBRAHIM » Mon Dec 27, 2021 8:37 am

4 Replies

4969 Views

Last post by IBRAHIM
Mon Dec 27, 2021 12:28 pm
Adsorption simulations

Last post by fabien_tran1 « Fri Dec 24, 2021 5:51 pm
Replies: 3
by fsimeski » Sun Dec 19, 2021 6:10 pm

3 Replies

5054 Views

Last post by fabien_tran1
Fri Dec 24, 2021 5:51 pm
ERROR FEXCP: supplied Exchange-correletion table is too small

Last post by musanna_galib « Thu Dec 23, 2021 12:23 am
Replies: 8
by musanna_galib » Mon Nov 22, 2021 1:58 am

8 Replies

20535 Views

Last post by musanna_galib
Thu Dec 23, 2021 12:23 am
problem writing BSEFATBAND

Last post by xiaoming_wang « Mon Dec 20, 2021 11:59 pm
Replies: 12
by xiaoming_wang » Tue Dec 14, 2021 3:12 am

12 Replies

9059 Views

Last post by xiaoming_wang
Mon Dec 20, 2021 11:59 pm
hse calculation of MnBi2Te4

Last post by fabien_tran1 « Fri Dec 17, 2021 12:16 pm
Replies: 7
by james_boulton » Tue Dec 14, 2021 3:17 pm

7 Replies

6635 Views

Last post by fabien_tran1
Fri Dec 17, 2021 12:16 pm
Keywords for LEXCH tag in POTCAR when use different functional

Last post by henrique_miranda « Tue Dec 14, 2021 5:04 pm
Replies: 5
by jingyun_ye4 » Tue Nov 16, 2021 2:34 am

5 Replies

15921 Views

Last post by henrique_miranda
Tue Dec 14, 2021 5:04 pm
How to model an ion or put a charge on an atom

Last post by fabien_tran1 « Tue Dec 14, 2021 9:28 am
Replies: 1
by seba_varghese » Wed Oct 13, 2021 3:50 pm

1 Replies

5134 Views

Last post by fabien_tran1
Tue Dec 14, 2021 9:28 am
vasp installation with spin spiral

Last post by marie-therese.huebsch « Wed Dec 29, 2021 10:43 am
Replies: 6
by scanmat_centre » Sun Dec 12, 2021 7:51 am

6 Replies

11152 Views

Last post by marie-therese.huebsch
Wed Dec 29, 2021 10:43 am
Two runs gets significantly different energies with ISPIN = 1 and 2 with mag = 0

Last post by henrique_miranda « Sat Dec 11, 2021 3:34 pm
Replies: 1
by yhan_vasp » Sat Dec 04, 2021 9:36 am

1 Replies

8020 Views

Last post by henrique_miranda
Sat Dec 11, 2021 3:34 pm
Why a relaxed structure doesn't converge in static run

Last post by henrique_miranda « Fri Dec 10, 2021 3:17 pm
Replies: 1
by SKM » Mon Dec 06, 2021 1:53 pm

1 Replies

5188 Views

Last post by henrique_miranda
Fri Dec 10, 2021 3:17 pm
changing the axis of the magnetic moment

Last post by henrique_miranda « Mon Dec 06, 2021 9:57 am
Replies: 1
by alpinnovianus » Fri Dec 03, 2021 6:01 am

1 Replies

7194 Views

Last post by henrique_miranda
Mon Dec 06, 2021 9:57 am
Structure optimization with Landau's U correction

Last post by alex « Mon Dec 06, 2021 8:49 am
Replies: 2
by luigi_cavallo1 » Thu Dec 02, 2021 6:25 am

2 Replies

7165 Views

Last post by alex
Mon Dec 06, 2021 8:49 am

New Topic

5329 topics

Page 116 of 267
- Jump to page:
Previous
1
…
114
115
116
117
118
…
267
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