Using VASP

Moderators: Global Moderator, Moderator

New Topic

5391 topics

Page 102 of 270
- Jump to page:
Previous
1
…
100
101
102
103
104
…
270
Next

Topics

Replies

Views

Last post

Non-converged SCF loops and MLFFs

Last post by Dankomaister « Tue Apr 04, 2023 1:42 pm
Replies: 4
by Dankomaister » Tue Mar 28, 2023 11:46 pm

4 Replies

1995 Views

Last post by Dankomaister
Tue Apr 04, 2023 1:42 pm
About NEB calculations

Last post by alok_shukla1 « Mon Apr 03, 2023 8:00 pm
Replies: 6
by alok_shukla1 » Sun Mar 26, 2023 11:15 am

6 Replies

3110 Views

Last post by alok_shukla1
Mon Apr 03, 2023 8:00 pm
Molecular Dynamics. PDSTEIN error

Last post by henrique_miranda « Mon Apr 03, 2023 11:20 am
Replies: 1
by ramon_bergua » Thu Mar 02, 2023 11:47 am

1 Replies

1851 Views

Last post by henrique_miranda
Mon Apr 03, 2023 11:20 am
generate a ML-FF for CO2 molecules

Last post by alexey.tal « Mon Apr 03, 2023 9:59 am
Replies: 3
by wuyang_lin » Wed Mar 29, 2023 4:33 pm

3 Replies

1813 Views

Last post by alexey.tal
Mon Apr 03, 2023 9:59 am
question about the U value

Last post by alexey.tal « Mon Apr 03, 2023 9:58 am
Replies: 1
by samar_fawzy » Fri Mar 31, 2023 8:21 am

1 Replies

1385 Views

Last post by alexey.tal
Mon Apr 03, 2023 9:58 am
How to select training mode?

Last post by jonathan_lahnsteiner2 « Mon Apr 03, 2023 9:57 am
Replies: 2
by jun_yin2 » Wed Mar 29, 2023 12:48 pm

2 Replies

16543 Views

Last post by jonathan_lahnsteiner2
Mon Apr 03, 2023 9:57 am
2d system stoping without any error in OUTCAR

Last post by alexey.tal « Mon Apr 03, 2023 8:33 am
Replies: 1
by rudrabanerjee » Sat Apr 01, 2023 5:33 pm

1 Replies

1205 Views

Last post by alexey.tal
Mon Apr 03, 2023 8:33 am
AIMD simulations with Umbrella Sampling

Last post by apolet « Sun Apr 02, 2023 12:03 am
Replies: 7
by yang_shao-horn1 » Mon Mar 27, 2023 11:24 pm

7 Replies

3483 Views

Last post by apolet
Sun Apr 02, 2023 12:03 am
Slow calculations of THFA adsorption on Pt(111)

Last post by ferenc_karsai « Thu Mar 30, 2023 12:12 pm
Replies: 1
by spbatchu » Thu Sep 23, 2021 6:28 pm

1 Replies

3631 Views

Last post by ferenc_karsai
Thu Mar 30, 2023 12:12 pm
K-POINTS selection for Graphene Armchair Nanoribbon calculation

Last post by alexey.tal « Thu Mar 30, 2023 7:58 am
Replies: 1
by skureshi » Wed Mar 29, 2023 3:53 pm

1 Replies

1219 Views

Last post by alexey.tal
Thu Mar 30, 2023 7:58 am
Reconstructing an all-electron local potential from PAW

Last post by henrique_miranda « Tue Mar 28, 2023 4:44 pm
Replies: 2
by g.nolan » Wed Mar 22, 2023 3:39 pm

2 Replies

1450 Views

Last post by henrique_miranda
Tue Mar 28, 2023 4:44 pm
Errors on Machine learning force field in vasp6

Last post by exk301 « Tue Mar 28, 2023 3:33 pm
Replies: 4
by exk301 » Thu Mar 16, 2023 7:33 pm

4 Replies

2199 Views

Last post by exk301
Tue Mar 28, 2023 3:33 pm
VBM/CBM decomposed charge density

Last post by henrique_miranda « Mon Mar 27, 2023 6:43 am
Replies: 5
by neha_kapila » Wed Mar 03, 2021 5:13 am

5 Replies

5425 Views

Last post by henrique_miranda
Mon Mar 27, 2023 6:43 am
Reduced-dimension constraints in ICONST

Last post by apolet « Sun Mar 26, 2023 3:09 pm
Replies: 3
by apolet » Fri Jan 13, 2023 3:00 pm

3 Replies

2444 Views

Last post by apolet
Sun Mar 26, 2023 3:09 pm
Problem in optical properties

Last post by SKM « Sun Mar 19, 2023 2:50 am
Replies: 9
by abdul_jaleel1 » Thu Sep 08, 2022 5:12 am

9 Replies

6451 Views

Last post by SKM
Sun Mar 19, 2023 2:50 am
CALC_WANNIER_TRAFO_PROJ error upon wannierization

Last post by armin_eghdami « Fri Mar 17, 2023 11:09 pm
Replies: 6
by armin_eghdami » Fri Feb 03, 2023 3:40 am

6 Replies

7512 Views

Last post by armin_eghdami
Fri Mar 17, 2023 11:09 pm
R2SCAN+rvv10

Last post by awang95 « Fri Mar 17, 2023 5:01 pm
Replies: 2
by awang95 » Fri Mar 17, 2023 12:18 am

2 Replies

1994 Views

Last post by awang95
Fri Mar 17, 2023 5:01 pm
Problems with convergence in a singlepoint calculations

Last post by henrique_miranda « Thu Mar 16, 2023 3:24 pm
Replies: 1
by piotr_szkudlarek » Thu Mar 16, 2023 12:31 pm

1 Replies

1276 Views

Last post by henrique_miranda
Thu Mar 16, 2023 3:24 pm
Issue with NPAR

Last post by henrique_miranda « Thu Mar 16, 2023 3:19 pm
Replies: 5
by anandverma » Wed Mar 15, 2023 9:02 am

5 Replies

2701 Views

Last post by henrique_miranda
Thu Mar 16, 2023 3:19 pm
Parallelization tags in hybrid MPI/OpenMP 6.4

Last post by henrique_miranda « Thu Mar 16, 2023 3:14 pm
Replies: 7
by jchapmanbu » Tue Mar 14, 2023 10:44 pm

7 Replies

3207 Views

Last post by henrique_miranda
Thu Mar 16, 2023 3:14 pm

New Topic

5391 topics

Page 102 of 270
- Jump to page:
Previous
1
…
100
101
102
103
104
…
270
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