Using VASP

Moderators: Global Moderator, Moderator

New Topic

4485 topics

Page 1 of 225
- Jump to page:
1
2
3
4
5
…
225
Next

Topics

Replies

Views

Last post

Forum Posting Guidelines

Last post by admin « Mon Sep 24, 2018 1:44 pm

by admin » Mon Sep 24, 2018 1:44 pm

0 Replies

8338 Views

Last post by admin
Mon Sep 24, 2018 1:44 pm
How to calculate dielectric function in microwave (GhZ) range

Last post by askhetan « Tue Jul 05, 2022 2:48 pm
Replies: 4
by askhetan » Thu Jun 16, 2022 8:44 am

4 Replies

125 Views

Last post by askhetan
Tue Jul 05, 2022 2:48 pm
Bandstructure with SOC

Last post by rishikanta_m « Tue Jul 05, 2022 2:44 am
Replies: 1
by rishikanta_m » Mon Jul 04, 2022 2:39 am

1 Replies

32 Views

Last post by rishikanta_m
Tue Jul 05, 2022 2:44 am
spin of hydrogen atom nuclei (ortho or para)

Last post by fabien_tran1 « Mon Jul 04, 2022 8:56 pm
Replies: 1
by sahar_jafari » Mon Jul 04, 2022 8:28 pm

1 Replies

17 Views

Last post by fabien_tran1
Mon Jul 04, 2022 8:56 pm
About NVT, I got an error.

Last post by fabien_tran1 « Mon Jul 04, 2022 1:55 pm
Replies: 6
by guangsheng_liu1 » Sun Jun 26, 2022 6:19 am

6 Replies

255 Views

Last post by fabien_tran1
Mon Jul 04, 2022 1:55 pm
Output file distribution

Last post by fabien_tran1 « Mon Jul 04, 2022 12:57 pm
Replies: 1
by nicholas_dimakis1 » Wed Jun 29, 2022 7:27 pm

1 Replies

38 Views

Last post by fabien_tran1
Mon Jul 04, 2022 12:57 pm
MLFF for bulk liquids

Last post by suojiang_zhang1 « Mon Jul 04, 2022 12:16 pm
Replies: 12
by suojiang_zhang1 » Fri May 20, 2022 6:44 am

12 Replies

1059 Views

Last post by suojiang_zhang1
Mon Jul 04, 2022 12:16 pm
GW+U and HSE+U

Last post by fabien_tran1 « Sun Jul 03, 2022 8:35 am
Replies: 17
by yuanchang_li » Mon Jun 27, 2022 11:15 am
1

2
17 Replies

357 Views

Last post by fabien_tran1
Sun Jul 03, 2022 8:35 am
Charged system IO3-

Last post by armando_derezende « Thu Jun 30, 2022 10:00 pm
Replies: 2
by armando_derezende » Wed Jun 29, 2022 10:18 pm

2 Replies

36 Views

Last post by armando_derezende
Thu Jun 30, 2022 10:00 pm
SCF calculation not converge with VASP 6.3.0

Last post by fabien_tran1 « Thu Jun 30, 2022 9:03 am
Replies: 3
by suojiang_zhang1 » Thu Jun 30, 2022 6:26 am

3 Replies

69 Views

Last post by fabien_tran1
Thu Jun 30, 2022 9:03 am
LRF_COMMUTATOR error in GGA (not HSE) OPTICS calculations

Last post by fabien_tran1 « Wed Jun 29, 2022 9:05 am
Replies: 3
by dhfphysics » Tue Nov 02, 2010 6:48 am

3 Replies

2130 Views

Last post by fabien_tran1
Wed Jun 29, 2022 9:05 am
VASP- GPU fails to converge

Last post by scanmat_centre « Wed Jun 29, 2022 5:10 am
Replies: 8
by scanmat_centre » Thu Jun 16, 2022 5:25 am

8 Replies

279 Views

Last post by scanmat_centre
Wed Jun 29, 2022 5:10 am
"Choosing" between degenerate lower-symmetry relaxed structures

Last post by tsmidt « Tue Jun 28, 2022 6:44 pm
Replies: 4
by tsmidt » Mon May 16, 2022 4:03 pm

4 Replies

407 Views

Last post by tsmidt
Tue Jun 28, 2022 6:44 pm
Convergence problems with dipole correction

Last post by weronika_walkosz3 « Mon Jun 27, 2022 6:52 pm
Replies: 6
by weronika_walkosz3 » Tue Jun 21, 2022 6:29 pm

6 Replies

234 Views

Last post by weronika_walkosz3
Mon Jun 27, 2022 6:52 pm
Small BSE calculated dielectric maxima

Last post by alexey.tal « Mon Jun 27, 2022 2:58 pm
Replies: 1
by nicholas_dimakis1 » Sat Jun 25, 2022 5:59 pm

1 Replies

106 Views

Last post by alexey.tal
Mon Jun 27, 2022 2:58 pm
NEB calculation IBRION=3 vs individual calculation with IBRION=2

Last post by fabien_tran1 « Mon Jun 27, 2022 7:53 am
Replies: 5
by gu301purdue » Fri Jun 24, 2022 2:10 pm

5 Replies

127 Views

Last post by fabien_tran1
Mon Jun 27, 2022 7:53 am
Long-range hybrid functionals

Last post by fabien_tran1 « Mon Jun 27, 2022 7:32 am
Replies: 5
by heisen » Sun Jun 19, 2022 1:16 pm

5 Replies

161 Views

Last post by fabien_tran1
Mon Jun 27, 2022 7:32 am
Center of Mass Drift and Vasp hanging

Last post by paulfons « Mon Jun 27, 2022 7:08 am
Replies: 2
by paulfons » Fri Jun 24, 2022 7:38 am

2 Replies

126 Views

Last post by paulfons
Mon Jun 27, 2022 7:08 am
Error reading item IMAGES from file INCAR

Last post by alex « Mon Jun 27, 2022 7:06 am
Replies: 11
by gu301purdue » Sun Jun 12, 2022 1:15 am

11 Replies

503 Views

Last post by alex
Mon Jun 27, 2022 7:06 am
When using VASP with multiple nodes, User time and System time are too long

Last post by fabien_tran1 « Fri Jun 24, 2022 4:05 pm
Replies: 1
by Jike.Wang » Fri Jun 24, 2022 2:12 pm

1 Replies

76 Views

Last post by fabien_tran1
Fri Jun 24, 2022 4:05 pm

New Topic

4485 topics

Page 1 of 225
- Jump to page:
1
2
3
4
5
…
225
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