Using VASP

Moderators: Global Moderator, Moderator

New Topic

5605 topics

Page 5 of 281
- Jump to page:
Previous
1
…
3
4
5
6
7
…
281
Next

Topics

Replies

Views

Last post

Sudden jumps in MLFF energies

Last post by xiaolin_liu1 « Tue May 13, 2025 8:32 pm
Replies: 4
by xiaolin_liu1 » Mon May 12, 2025 5:32 pm

4 Replies

8332 Views

Last post by xiaolin_liu1
Tue May 13, 2025 8:32 pm
A serious error: distance between some ions is very small

Last post by jonathan_lahnsteiner2 « Tue May 13, 2025 4:32 pm
Replies: 1
by bhagyashridevaru_bhat » Tue May 13, 2025 10:58 am

1 Replies

5103 Views

Last post by jonathan_lahnsteiner2
Tue May 13, 2025 4:32 pm
Fermi energy in the conduction band with some functionnals

Last post by jonathan_lahnsteiner2 « Tue May 13, 2025 9:39 am
Replies: 5
by Pierre_Beaujean » Wed May 07, 2025 2:01 pm

5 Replies

10578 Views

Last post by jonathan_lahnsteiner2
Tue May 13, 2025 9:39 am
internal ERROR SETYLM_AUG

Last post by speelman_tom « Tue May 13, 2025 9:31 am
Replies: 2
by speelman_tom » Tue May 13, 2025 8:14 am

2 Replies

3902 Views

Last post by speelman_tom
Tue May 13, 2025 9:31 am
VCA in alloy

Last post by michael_wolloch « Mon May 12, 2025 1:35 pm
Replies: 12
by kaynat_kalvi » Mon Apr 14, 2025 11:05 am

12 Replies

141170 Views

Last post by michael_wolloch
Mon May 12, 2025 1:35 pm
Calculating exciton binding energy of α-Al2O3

Last post by jonathan_lahnsteiner2 « Mon May 12, 2025 12:14 pm
Replies: 3
by Jike.Wang » Thu May 08, 2025 11:31 am

3 Replies

7704 Views

Last post by jonathan_lahnsteiner2
Mon May 12, 2025 12:14 pm
Regarding using VASP for a different project

Last post by jonathan_lahnsteiner2 « Mon May 12, 2025 12:07 pm
Replies: 1
by Nishat Tasnim Hiramony » Sat May 10, 2025 5:23 am

1 Replies

4991 Views

Last post by jonathan_lahnsteiner2
Mon May 12, 2025 12:07 pm
Band structure calculations stop with "WARNING: stress and forces are not correct"

Last post by jonathan_lahnsteiner2 « Mon May 12, 2025 7:06 am
Replies: 1
by shweta_choudhary » Sun May 11, 2025 3:28 pm

1 Replies

3091 Views

Last post by jonathan_lahnsteiner2
Mon May 12, 2025 7:06 am
r2SCAN-L electronic convergence

Last post by fabien_tran1 « Sun May 11, 2025 1:08 pm
Replies: 1
by chamara_somarathna » Sat May 10, 2025 2:23 pm

1 Replies

5154 Views

Last post by fabien_tran1
Sun May 11, 2025 1:08 pm
Inquire about the VASP Built-in Functionality for ZPE and Finite-Temperature Corrections.

Last post by jonathan_lahnsteiner2 « Thu May 08, 2025 11:05 am
Replies: 3
by hszhao.cn@gmail.com » Tue May 06, 2025 6:20 am

3 Replies

6935 Views

Last post by jonathan_lahnsteiner2
Thu May 08, 2025 11:05 am
Errors regarding the memory allocations

Last post by manoj_wijesingha « Tue May 06, 2025 4:44 pm
Replies: 4
by manoj_wijesingha » Mon May 05, 2025 3:11 pm

4 Replies

9522 Views

Last post by manoj_wijesingha
Tue May 06, 2025 4:44 pm
Solid Liquid Interface Calculations in VASP

Last post by jonathan_lahnsteiner2 « Tue May 06, 2025 2:48 pm
Replies: 1
by bolariso » Tue May 06, 2025 11:19 am

1 Replies

5712 Views

Last post by jonathan_lahnsteiner2
Tue May 06, 2025 2:48 pm
BRMIX: very serious problems the old and the new charge density differ

Last post by anwin_john1 « Mon May 05, 2025 5:46 am
Replies: 4
by NIDAL@UWM.EDU » Fri Mar 25, 2022 8:56 pm

4 Replies

14075 Views

Last post by anwin_john1
Mon May 05, 2025 5:46 am
Phonon spectra from ZG configuration

Last post by henrique_miranda « Fri May 02, 2025 9:55 am
Replies: 3
by nicholas_dimakis1 » Mon Apr 28, 2025 1:32 am

3 Replies

18275 Views

Last post by henrique_miranda
Fri May 02, 2025 9:55 am
Issue with Imaginary Dielectric Function (BSE Calculation) for 4x4 MoS₂

Last post by fabien_tran1 « Fri May 02, 2025 8:28 am
Replies: 5
by shishir1 » Mon Apr 28, 2025 1:29 pm

5 Replies

16332 Views

Last post by fabien_tran1
Fri May 02, 2025 8:28 am
Why inner loop and outer loop energy differs by a lot and how to reduce it

Last post by mukesh.phy « Wed Apr 30, 2025 9:56 pm
Replies: 4
by mukesh.phy » Wed Apr 16, 2025 5:57 pm

4 Replies

31691 Views

Last post by mukesh.phy
Wed Apr 30, 2025 9:56 pm
OOM with supercell, vasp_gam

Last post by patrizio_graziosi « Tue Apr 29, 2025 11:27 am
Replies: 8
by patrizio_graziosi » Fri Apr 18, 2025 6:25 am

8 Replies

44815 Views

Last post by patrizio_graziosi
Tue Apr 29, 2025 11:27 am
Ion Relaxation Failing with Symmetry

Last post by fabien_tran1 « Mon Apr 28, 2025 5:56 pm
Replies: 1
by michael_walkup » Mon Apr 28, 2025 5:01 pm

1 Replies

6329 Views

Last post by fabien_tran1
Mon Apr 28, 2025 5:56 pm
LDMATRIX get different values for vasp_std and vasp_gam

Last post by fabien_tran1 « Sat Apr 26, 2025 9:52 am
Replies: 3
by xin_zhao » Thu Apr 24, 2025 8:47 am

3 Replies

20550 Views

Last post by fabien_tran1
Sat Apr 26, 2025 9:52 am
How can WAVECAR be saved after every electronic cycle

Last post by KWH « Fri Apr 25, 2025 6:16 pm
Replies: 2
by KWH » Sun Mar 02, 2025 3:56 am

2 Replies

44132 Views

Last post by KWH
Fri Apr 25, 2025 6:16 pm

New Topic

5605 topics

Page 5 of 281
- Jump to page:
Previous
1
…
3
4
5
6
7
…
281
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