Using VASP

Moderators: Global Moderator, Moderator

New Topic

5525 topics

Page 1 of 277
- Jump to page:
1
2
3
4
5
…
277
Next

Topics

Replies

Views

Last post

Posting guidelines

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

by admin » Mon Sep 24, 2018 1:44 pm

0 Replies

186632 Views

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

344 Views

Last post by fabien_tran1
Mon Apr 28, 2025 5:56 pm
Issue with Imaginary Dielectric Function (BSE Calculation) for 4x4 MoS₂

Last post by shishir1 « Mon Apr 28, 2025 4:22 pm
Replies: 4
by shishir1 » Mon Apr 28, 2025 1:29 pm

4 Replies

394 Views

Last post by shishir1
Mon Apr 28, 2025 4:22 pm
How to implement Metadynamics

Last post by fabien_tran1 « Mon Apr 28, 2025 3:09 pm
Replies: 1
by mo_salha » Thu Apr 24, 2025 10:56 am

1 Replies

8610 Views

Last post by fabien_tran1
Mon Apr 28, 2025 3:09 pm
VCA in alloy

Last post by michael_wolloch « Mon Apr 28, 2025 10:11 am
Replies: 7
by kaynat_kalvi » Mon Apr 14, 2025 11:05 am

7 Replies

106902 Views

Last post by michael_wolloch
Mon Apr 28, 2025 10:11 am
OOM with supercell, vasp_gam

Last post by michael_wolloch « Mon Apr 28, 2025 7:42 am
Replies: 5
by patrizio_graziosi » Fri Apr 18, 2025 6:25 am

5 Replies

26419 Views

Last post by michael_wolloch
Mon Apr 28, 2025 7:42 am
Phonon spectra from ZG configuration

Last post by nicholas_dimakis1 « Mon Apr 28, 2025 1:32 am

by nicholas_dimakis1 » Mon Apr 28, 2025 1:32 am

0 Replies

322 Views

Last post by nicholas_dimakis1
Mon Apr 28, 2025 1:32 am
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

8501 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

34446 Views

Last post by KWH
Fri Apr 25, 2025 6:16 pm
Thermal Expansion using MLFF

Last post by Fermi1976 « Fri Apr 25, 2025 4:05 pm
Replies: 3
by Fermi1976 » Tue Apr 22, 2025 7:11 pm

3 Replies

16632 Views

Last post by Fermi1976
Fri Apr 25, 2025 4:05 pm
molecular crystal BSE spectra

Last post by fabien_tran1 « Fri Apr 25, 2025 2:30 pm
Replies: 1
by subrata » Fri Apr 25, 2025 10:23 am

1 Replies

4676 Views

Last post by fabien_tran1
Fri Apr 25, 2025 2:30 pm
Inconsistent structures from vasp and lammps trajectory using MLFF

Last post by andreas.singraber « Thu Apr 24, 2025 12:31 pm
Replies: 9
by suojiang_zhang1 » Mon Apr 14, 2025 10:21 am

9 Replies

119469 Views

Last post by andreas.singraber
Thu Apr 24, 2025 12:31 pm
Thermal conductivity calculation of light atom containing compounds

Last post by tanmoy_paul « Wed Apr 23, 2025 10:44 am
Replies: 6
by tanmoy_paul » Wed Apr 16, 2025 1:29 pm

6 Replies

68154 Views

Last post by tanmoy_paul
Wed Apr 23, 2025 10:44 am
Is setting ISYM = 0 recommended for structure optimizations?

Last post by michael_wolloch « Wed Apr 23, 2025 8:21 am
Replies: 3
by asrosen » Thu Apr 10, 2025 8:39 pm

3 Replies

98839 Views

Last post by michael_wolloch
Wed Apr 23, 2025 8:21 am
Why inner loop and outer loop energy differs by a lot and how to reduce it

Last post by michael_wolloch « Wed Apr 23, 2025 8:10 am
Replies: 3
by mukesh.phy » Wed Apr 16, 2025 5:57 pm

3 Replies

19094 Views

Last post by michael_wolloch
Wed Apr 23, 2025 8:10 am
Mining an old OUTCAR for ML_AB data?

Last post by andreas.singraber « Wed Apr 23, 2025 7:43 am
Replies: 4
by victor_robinson » Fri Mar 17, 2023 10:18 pm

4 Replies

20318 Views

Last post by andreas.singraber
Wed Apr 23, 2025 7:43 am
CDW for TaS2 monolayer

Last post by fabien_tran1 « Tue Apr 22, 2025 7:38 pm
Replies: 1
by ahsan_javed » Tue Apr 22, 2025 5:58 pm

1 Replies

8088 Views

Last post by fabien_tran1
Tue Apr 22, 2025 7:38 pm
wannier90.amn files not being produced

Last post by sakidja_577 « Tue Apr 22, 2025 6:50 pm
Replies: 2
by sakidja_577 » Sat Nov 16, 2024 5:05 pm

2 Replies

14066 Views

Last post by sakidja_577
Tue Apr 22, 2025 6:50 pm
wB97 functionals

Last post by fabien_tran1 « Tue Apr 22, 2025 8:41 am
Replies: 2
by giaan_kler-young » Tue Apr 15, 2025 2:20 pm

2 Replies

32445 Views

Last post by fabien_tran1
Tue Apr 22, 2025 8:41 am
HSE06 calculation stuck at 5th electronic step.

Last post by michael_wolloch « Tue Apr 22, 2025 7:41 am
Replies: 3
by hszhao.cn@gmail.com » Thu Apr 17, 2025 1:23 pm

3 Replies

33070 Views

Last post by michael_wolloch
Tue Apr 22, 2025 7:41 am

New Topic

5525 topics

Page 1 of 277
- Jump to page:
1
2
3
4
5
…
277
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