Using VASP

Moderators: Global Moderator, Moderator

New Topic

5867 topics

Page 129 of 294
- Jump to page:
Previous
1
…
127
128
129
130
131
…
294
Next

Topics

Replies

Views

Last post

GPUs and Cores

Last post by martin.schlipf « Thu Jan 26, 2023 8:41 am
Replies: 1
by kazeej » Wed Jan 25, 2023 7:22 pm

1 Replies

37036 Views

Last post by martin.schlipf
Thu Jan 26, 2023 8:41 am
Steps in case of ICHAR=11.

Last post by martin.schlipf « Wed Jan 25, 2023 7:59 am
Replies: 1
by bikash.patra » Tue Jan 24, 2023 6:07 am

1 Replies

7868 Views

Last post by martin.schlipf
Wed Jan 25, 2023 7:59 am
Convention of electric field direction in VASP

Last post by martin.schlipf « Mon Jan 23, 2023 1:50 pm
Replies: 3
by nicholascheng » Thu Jan 19, 2023 7:13 am

3 Replies

11818 Views

Last post by martin.schlipf
Mon Jan 23, 2023 1:50 pm
Question about the PARCHG

Last post by andreas.singraber « Mon Jan 23, 2023 9:48 am
Replies: 1
by samar_fawzy » Mon Jan 09, 2023 12:19 pm

1 Replies

4818 Views

Last post by andreas.singraber
Mon Jan 23, 2023 9:48 am
Analysing phonon spectra

Last post by martin.schlipf « Mon Jan 23, 2023 6:53 am
Replies: 1
by karthik_hj » Sat Jan 21, 2023 6:41 am

1 Replies

4467 Views

Last post by martin.schlipf
Mon Jan 23, 2023 6:53 am
Basic question about structure

Last post by martin.schlipf « Fri Jan 20, 2023 6:36 am
Replies: 1
by KWH » Thu Jan 19, 2023 10:34 pm

1 Replies

4281 Views

Last post by martin.schlipf
Fri Jan 20, 2023 6:36 am
What is dE - revisited

Last post by KWH « Thu Jan 19, 2023 11:02 pm
Replies: 2
by KWH » Mon Sep 27, 2021 8:25 pm

2 Replies

8749 Views

Last post by KWH
Thu Jan 19, 2023 11:02 pm
Poor electronic convergence in MD study with VASP6.3

Last post by andreas.singraber « Mon Jan 16, 2023 3:49 pm
Replies: 2
by yuke_li2 » Fri Jan 06, 2023 1:39 am

2 Replies

5243 Views

Last post by andreas.singraber
Mon Jan 16, 2023 3:49 pm
magnetic moments at bottom of slab seem to be affected by opposite surface

Last post by sophie_weber « Mon Jan 16, 2023 8:39 am
Replies: 2
by sophie_weber » Wed Jan 04, 2023 1:21 pm

2 Replies

4179 Views

Last post by sophie_weber
Mon Jan 16, 2023 8:39 am
Problems reading explicit k-points

Last post by alexey.tal « Fri Jan 13, 2023 5:08 pm
Replies: 5
by armando_derezende » Fri Dec 23, 2022 12:17 am

5 Replies

8044 Views

Last post by alexey.tal
Fri Jan 13, 2023 5:08 pm
Energy conservation in MD

Last post by andreas.singraber « Wed Jan 11, 2023 5:08 pm
Replies: 1
by IBRAHIM » Wed Jan 11, 2023 1:27 am

1 Replies

4680 Views

Last post by andreas.singraber
Wed Jan 11, 2023 5:08 pm
Parallel Wannier Projections

Last post by jbackman « Wed Jan 11, 2023 4:33 pm
Replies: 29
by jbackman » Fri Feb 26, 2021 2:02 pm
1

2
29 Replies

122045 Views

Last post by jbackman
Wed Jan 11, 2023 4:33 pm
VASP6 vs VASP5 symmetry info on OUTCAR

Last post by andreas.singraber « Wed Jan 11, 2023 3:08 pm
Replies: 2
by inigo_robredo » Sat Jan 07, 2023 9:33 pm

2 Replies

3255 Views

Last post by andreas.singraber
Wed Jan 11, 2023 3:08 pm
Symmetry operations when setting NWRITE=3

Last post by andreas.singraber « Wed Jan 11, 2023 3:04 pm
Replies: 1
by tug03990 » Sun Jan 08, 2023 6:18 pm

1 Replies

3158 Views

Last post by andreas.singraber
Wed Jan 11, 2023 3:04 pm
Fermi surface calculation

Last post by andreas.singraber « Wed Jan 11, 2023 1:39 pm
Replies: 1
by jeonghoon_hong150 » Fri Jan 06, 2023 3:05 am

1 Replies

4182 Views

Last post by andreas.singraber
Wed Jan 11, 2023 1:39 pm
Which MLFF force/stress corresponds to each ionic step?

Last post by andreas.singraber « Wed Jan 11, 2023 1:23 pm
Replies: 2
by jeremiah » Wed Jan 04, 2023 5:29 pm

2 Replies

3719 Views

Last post by andreas.singraber
Wed Jan 11, 2023 1:23 pm
Final MD NSW steps are not completed

Last post by ferenc_karsai « Thu Jan 05, 2023 10:11 am
Replies: 4
by jeremiah » Wed Jan 04, 2023 6:05 am

4 Replies

4910 Views

Last post by ferenc_karsai
Thu Jan 05, 2023 10:11 am
Structure relaxes to very different magnetic states on first and second relation run

Last post by sophie_weber « Wed Jan 04, 2023 9:23 am
Replies: 2
by sophie_weber » Sun Dec 18, 2022 3:08 pm

2 Replies

4671 Views

Last post by sophie_weber
Wed Jan 04, 2023 9:23 am
Non-self-consistent calculations with istart=2 & icharg=11

Last post by alexey.tal « Tue Jan 03, 2023 2:39 pm
Replies: 5
by youngsam_kim » Sun Jan 01, 2023 3:37 pm

5 Replies

9213 Views

Last post by alexey.tal
Tue Jan 03, 2023 2:39 pm
Intraband transitions in G0W0 calculation

Last post by alexey.tal « Tue Jan 03, 2023 1:23 pm
Replies: 1
by bprobinson102 » Wed Dec 28, 2022 12:13 am

1 Replies

3408 Views

Last post by alexey.tal
Tue Jan 03, 2023 1:23 pm

New Topic

5867 topics

Page 129 of 294
- Jump to page:
Previous
1
…
127
128
129
130
131
…
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