Using VASP
Moderators: Global Moderator, Moderator
-
- Topics
- Replies
- Views
- Last post
-
- 0 Replies
- 7810 Views
-
Last post by admin
Mon Sep 24, 2018 1:44 pm
-
-
0 Take all bands to calculate the charge density, even unoccupied bands are taken into account.
by hszhao.cn@gmail.com » Wed May 11, 2022 3:07 pm - 1 Replies
- 138 Views
-
Last post by andreas.singraber
Wed May 25, 2022 9:25 am
-
-
-
Settings for the first principles calculation to be performed during MLFF.
by kai_oshiro » Wed May 18, 2022 9:53 am - 2 Replies
- 117 Views
-
Last post by andreas.singraber
Wed May 25, 2022 9:22 am
-
-
- 1 Replies
- 87 Views
-
Last post by andreas.singraber
Wed May 25, 2022 9:03 am
-
-
How to compute band edges for bulk materials using vasp ?
by scanmat_centre » Thu May 12, 2022 8:07 am - 4 Replies
- 146 Views
-
Last post by martin.schlipf
Wed May 25, 2022 7:57 am
-
-
- 10 Replies
- 855 Views
-
Last post by IBRAHIM
Tue May 24, 2022 7:08 am
-
- 4 Replies
- 193 Views
-
Last post by suojiang_zhang1
Sun May 22, 2022 4:19 am
-
- 2 Replies
- 89 Views
-
Last post by juihung_hung
Sat May 21, 2022 7:04 am
-
- 1 Replies
- 83 Views
-
Last post by andreas.singraber
Fri May 20, 2022 3:25 pm
-
- 17 Replies
- 1861 Views
-
Last post by ferenc_karsai
Wed May 18, 2022 2:06 pm
-
-
"Choosing" between degenerate lower-symmetry relaxed structures
by tsmidt » Mon May 16, 2022 4:03 pm - 0 Replies
- 77 Views
-
Last post by tsmidt
Mon May 16, 2022 4:03 pm
-
-
- 3 Replies
- 245 Views
-
Last post by andreas.singraber
Mon May 16, 2022 3:53 pm
-
-
In MD: Non-zero average forces acting on atoms of system at higher temperature
by alok_shukla1 » Sun May 15, 2022 4:23 am - 2 Replies
- 148 Views
-
Last post by alok_shukla1
Mon May 16, 2022 12:03 pm
-
-
- 4 Replies
- 429 Views
-
Last post by julien_steffen
Fri May 13, 2022 3:22 pm
-
-
DFT calculations crashing with "EDDDAV error" when performed on too many cpus
by kdoblhoff » Wed May 04, 2022 7:02 am - 3 Replies
- 328 Views
-
Last post by andreas.singraber
Fri May 13, 2022 9:59 am
-
-
- 4 Replies
- 468 Views
-
Last post by kai_oshiro
Thu May 12, 2022 4:34 am
-
-
Error EDDDAV Call to ZHEGV failed. Returncode = 399 1 400
by aniket_singha » Tue May 10, 2022 2:43 am - 2 Replies
- 321 Views
-
Last post by aniket_singha
Wed May 11, 2022 11:14 am
-
-
- 4 Replies
- 676 Views
-
Last post by bo_gao
Wed May 11, 2022 1:51 am
-
- 9 Replies
- 1526 Views
-
Last post by marie-therese.huebsch
Mon May 09, 2022 1:13 pm
-
- 3 Replies
- 466 Views
-
Last post by aniket_singha
Mon May 09, 2022 9:52 am