Using VASP

Moderators: Global Moderator, Moderator

New Topic

5901 topics

Page 154 of 296
- Jump to page:
Previous
1
…
152
153
154
155
156
…
296
Next

Topics

Replies

Views

Last post

Not getting a spin polarised DOS in spin orbit coupling calculation

Last post by henrique_miranda « Fri Feb 05, 2021 11:31 am
Replies: 1
by scanmat_centre » Tue Feb 02, 2021 4:17 am

1 Replies

4924 Views

Last post by henrique_miranda
Fri Feb 05, 2021 11:31 am
Dipole Correction in charged bulk KTaO3 systems

Last post by henrique_miranda « Fri Feb 05, 2021 10:55 am
Replies: 5
by Bmodak » Wed Jan 27, 2021 9:13 am

5 Replies

10615 Views

Last post by henrique_miranda
Fri Feb 05, 2021 10:55 am
Polarization calculation VASP

Last post by henrique_miranda « Fri Feb 05, 2021 8:33 am
Replies: 3
by chandan_kumarvishwakarma1 » Thu Jan 28, 2021 7:28 am

3 Replies

6911 Views

Last post by henrique_miranda
Fri Feb 05, 2021 8:33 am
Is VASP capable to deal with charged slab system with NELECT?

Last post by ziyi_wang « Wed Feb 03, 2021 10:07 pm
Replies: 4
by ziyi_wang » Fri Jan 08, 2021 9:43 pm

4 Replies

8315 Views

Last post by ziyi_wang
Wed Feb 03, 2021 10:07 pm
Typo in wiki

Last post by henrique_miranda « Tue Feb 02, 2021 7:00 am
Replies: 1
by chengcheng_xiao1 » Tue Feb 02, 2021 12:15 am

1 Replies

4219 Views

Last post by henrique_miranda
Tue Feb 02, 2021 7:00 am
Problem with Langevin thermostat in NPT MD simulation

Last post by henrique_miranda « Mon Feb 01, 2021 3:43 pm
Replies: 1
by praveenkumar_hiremath1 » Thu Jan 21, 2021 10:57 am

1 Replies

5905 Views

Last post by henrique_miranda
Mon Feb 01, 2021 3:43 pm
USPP, PW91 and PBE

Last post by henrique_miranda « Mon Feb 01, 2021 10:31 am
Replies: 9
by monty-wang » Wed Jan 06, 2021 2:32 pm

9 Replies

14379 Views

Last post by henrique_miranda
Mon Feb 01, 2021 10:31 am
Regarding the incorporation of charged ions

Last post by henrique_miranda « Sat Jan 30, 2021 1:38 pm
Replies: 3
by chandan_kumarvishwakarma1 » Fri Jan 29, 2021 9:19 am

3 Replies

6281 Views

Last post by henrique_miranda
Sat Jan 30, 2021 1:38 pm
Problems simulating Cu 211 facet

Last post by henrique_miranda « Tue Jan 26, 2021 10:10 am
Replies: 5
by ian_brewis » Tue Jan 19, 2021 11:36 am

5 Replies

11499 Views

Last post by henrique_miranda
Tue Jan 26, 2021 10:10 am
A question on potcars PBE/GGA and vasp

Last post by henrique_miranda « Tue Jan 26, 2021 7:53 am
Replies: 1
by azade_yazdan » Wed Jan 20, 2021 9:26 am

1 Replies

5280 Views

Last post by henrique_miranda
Tue Jan 26, 2021 7:53 am
exciton fine splitting from BSE

Last post by henrique_miranda « Mon Jan 25, 2021 12:58 pm
Replies: 11
by pooja_basera » Fri Jan 15, 2021 11:19 am

11 Replies

12684 Views

Last post by henrique_miranda
Mon Jan 25, 2021 12:58 pm
A problem about symmetry output

Last post by henrique_miranda « Wed Jan 20, 2021 8:29 pm
Replies: 1
by ke_xu_1 » Wed Jan 20, 2021 12:57 pm

1 Replies

3863 Views

Last post by henrique_miranda
Wed Jan 20, 2021 8:29 pm
Macroscopic dielectric properties

Last post by henrique_miranda « Wed Jan 20, 2021 8:24 pm
Replies: 1
by yun-wen_chen » Wed Jan 20, 2021 4:44 pm

1 Replies

3842 Views

Last post by henrique_miranda
Wed Jan 20, 2021 8:24 pm
LOCPOT Format

Last post by henrique_miranda « Mon Jan 18, 2021 8:21 pm
Replies: 1
by brocks » Tue Apr 24, 2007 11:29 am

1 Replies

6517 Views

Last post by henrique_miranda
Mon Jan 18, 2021 8:21 pm
POTCAR for Xe (4d10 5s2 5p6)

Last post by henrique_miranda « Mon Jan 18, 2021 7:19 pm
Replies: 1
by busheng_wang1 » Mon Jan 18, 2021 1:01 pm

1 Replies

4007 Views

Last post by henrique_miranda
Mon Jan 18, 2021 7:19 pm
Release of MLFF

Last post by henrique_miranda « Mon Jan 18, 2021 4:19 pm
Replies: 1
by dongtony » Sun Jan 17, 2021 11:41 pm

1 Replies

4092 Views

Last post by henrique_miranda
Mon Jan 18, 2021 4:19 pm
Regarding internal error in SET_CORE_WF

Last post by henrique_miranda « Fri Jan 15, 2021 2:39 pm
Replies: 9
by chandan_kumarvishwakarma1 » Wed Oct 28, 2020 10:56 am

9 Replies

13124 Views

Last post by henrique_miranda
Fri Jan 15, 2021 2:39 pm
vibrational frequency of H-D molecule

Last post by henrique_miranda « Wed Jan 13, 2021 10:09 pm
Replies: 3
by musharaf_vasp » Tue Jan 12, 2021 12:07 pm

3 Replies

6865 Views

Last post by henrique_miranda
Wed Jan 13, 2021 10:09 pm
Regarding transition probabilities

Last post by henrique_miranda « Mon Jan 11, 2021 10:10 am
Replies: 4
by sdeepmanav » Fri Sep 04, 2020 3:20 pm

4 Replies

7799 Views

Last post by henrique_miranda
Mon Jan 11, 2021 10:10 am
Fermi energy estimation

Last post by martin.schlipf « Mon Jan 04, 2021 7:57 am
Replies: 3
by geng » Wed Dec 23, 2020 6:20 am

3 Replies

5627 Views

Last post by martin.schlipf
Mon Jan 04, 2021 7:57 am

New Topic

5901 topics

Page 154 of 296
- Jump to page:
Previous
1
…
152
153
154
155
156
…
296
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