Using VASP

Moderators: Global Moderator, Moderator

New Topic

5867 topics

Page 127 of 294
- Jump to page:
Previous
1
…
125
126
127
128
129
…
294
Next

Topics

Replies

Views

Last post

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

2853 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

4494 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

5378 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

9316 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

5058 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

11355 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

11699 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

4985 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

3046 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

6161 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

8957 Views

Last post by henrique_miranda
Thu Mar 16, 2023 3:14 pm
Error in machine learning force field

Last post by henrique_miranda « Wed Mar 15, 2023 10:15 pm
Replies: 1
by prince_sharma » Wed Mar 15, 2023 6:28 pm

1 Replies

2796 Views

Last post by henrique_miranda
Wed Mar 15, 2023 10:15 pm
non-zero pressure at minimum energy structure from equation of states

Last post by pedro_melo « Mon Mar 13, 2023 5:00 pm
Replies: 1
by IBRAHIM » Fri Mar 10, 2023 6:46 am

1 Replies

7562 Views

Last post by pedro_melo
Mon Mar 13, 2023 5:00 pm
symmetry and isif

Last post by pedro_melo « Mon Mar 13, 2023 12:30 pm
Replies: 1
by IBRAHIM » Mon Feb 27, 2023 8:38 am

1 Replies

3912 Views

Last post by pedro_melo
Mon Mar 13, 2023 12:30 pm
Selective cell relaxation

Last post by jonathan_lahnsteiner2 « Mon Mar 13, 2023 9:49 am
Replies: 5
by sergey_lisenkov1 » Wed Feb 22, 2023 10:25 am

5 Replies

7383 Views

Last post by jonathan_lahnsteiner2
Mon Mar 13, 2023 9:49 am
POTCAR for Br

Last post by dlopezduran « Wed Mar 08, 2023 5:02 pm
Replies: 2
by dlopezduran » Tue Mar 07, 2023 5:23 pm

2 Replies

3281 Views

Last post by dlopezduran
Wed Mar 08, 2023 5:02 pm
Stress data in OUTCAR

Last post by pedro_melo « Wed Mar 08, 2023 11:00 am
Replies: 1
by msalaken » Fri Mar 03, 2023 9:04 pm

1 Replies

4381 Views

Last post by pedro_melo
Wed Mar 08, 2023 11:00 am
How can we determine the reliability of a machine learning force field (ML_FF) for use in production?

Last post by jonathan_lahnsteiner2 « Mon Mar 06, 2023 1:53 pm
Replies: 2
by dianwei_hou » Thu Mar 02, 2023 9:48 am

2 Replies

3663 Views

Last post by jonathan_lahnsteiner2
Mon Mar 06, 2023 1:53 pm
Large run time variation in Force-field (ML_ISTART = 2) simulations

Last post by mike_foster « Thu Mar 02, 2023 12:37 pm
Replies: 8
by mike_foster » Fri Jan 27, 2023 6:48 pm

8 Replies

12606 Views

Last post by mike_foster
Thu Mar 02, 2023 12:37 pm
VTST Tools and variable cell

Last post by jonathan_lahnsteiner2 « Wed Mar 01, 2023 3:20 pm
Replies: 1
by paulfons » Fri Feb 24, 2023 1:38 am

1 Replies

4827 Views

Last post by jonathan_lahnsteiner2
Wed Mar 01, 2023 3:20 pm

New Topic

5867 topics

Page 127 of 294
- Jump to page:
Previous
1
…
125
126
127
128
129
…
294
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