From users for users

Moderators: Global Moderator, Moderator

New Topic

158 topics

Page 5 of 8
- Jump to page:
Previous
1
…
3
4
5
6
7
8
Next

Topics

Replies

Views

Last post

Inquiry Regarding Band Gap Calculations of CsPbBr3

Last post by andreas.singraber « Wed Apr 03, 2024 8:33 am
Replies: 1
by rishikanta_m » Thu Mar 14, 2024 7:21 am

1 Replies

19793 Views

Last post by andreas.singraber
Wed Apr 03, 2024 8:33 am
Wrong PDOS with SOC

Last post by pedro_melo « Thu Mar 28, 2024 10:16 am
Replies: 6
by mukesh_jakhar » Mon Jul 17, 2023 3:52 pm

6 Replies

52679 Views

Last post by pedro_melo
Thu Mar 28, 2024 10:16 am
ionic potential method

Last post by martin.schlipf « Thu Mar 28, 2024 7:37 am
Replies: 1
by mohsen_mahmoudi » Wed Mar 27, 2024 6:33 pm

1 Replies

20825 Views

Last post by martin.schlipf
Thu Mar 28, 2024 7:37 am
G0W0 on top of PBE+SOC+U

Last post by alexey.tal « Thu Mar 07, 2024 10:29 am
Replies: 7
by hong_tang1 » Tue Jan 16, 2024 10:23 pm

7 Replies

39831 Views

Last post by alexey.tal
Thu Mar 07, 2024 10:29 am
Calculation of the Binding Energy and the Adsorption Energy

Last post by alex « Wed Feb 14, 2024 7:45 am
Replies: 1
by manoj_wijesingha » Mon Feb 12, 2024 4:36 pm

1 Replies

20397 Views

Last post by alex
Wed Feb 14, 2024 7:45 am
Advice needed on optimal parallelization strategy

Last post by manuel_engel1 « Wed Feb 07, 2024 3:27 pm
Replies: 1
by mtardieux » Wed Feb 07, 2024 1:53 pm

1 Replies

19872 Views

Last post by manuel_engel1
Wed Feb 07, 2024 3:27 pm
Underestimation of hyperfine constant

Last post by marie-therese.huebsch « Thu Jan 18, 2024 2:14 pm
Replies: 3
by hongyang_ma » Mon Mar 21, 2022 6:29 am

3 Replies

31583 Views

Last post by marie-therese.huebsch
Thu Jan 18, 2024 2:14 pm
Can only get one of two energetically equivalent magnetic domains to converge in a slab

Last post by sophie_weber « Wed Jan 17, 2024 4:04 pm
Replies: 9
by sophie_weber » Thu Dec 14, 2023 5:23 pm

9 Replies

46382 Views

Last post by sophie_weber
Wed Jan 17, 2024 4:04 pm
structural optimization of monolayer

Last post by alexey.tal « Tue Jan 16, 2024 2:54 pm
Replies: 5
by liaqat_ali » Tue Jan 16, 2024 1:31 pm

5 Replies

31628 Views

Last post by alexey.tal
Tue Jan 16, 2024 2:54 pm
Stuck in 'Refit' Mode: VASP ML Force Field Issue with Triclinic Geometries

Last post by ferenc_karsai « Thu Dec 28, 2023 10:04 am
Replies: 5
by dantasqu » Wed Oct 04, 2023 5:52 am

5 Replies

43652 Views

Last post by ferenc_karsai
Thu Dec 28, 2023 10:04 am
Modified Ta PAW potential to calculate accurate EFGs

Last post by CrimsonFirebird « Tue Dec 19, 2023 1:08 am
Replies: 6
by knlausch » Tue May 09, 2023 11:23 am

6 Replies

38535 Views

Last post by CrimsonFirebird
Tue Dec 19, 2023 1:08 am
DFT-1/2 and DFT-1/4

Last post by fabien_tran1 « Fri Dec 15, 2023 9:46 pm
Replies: 1
by rishikanta_m » Tue Dec 12, 2023 4:36 pm

1 Replies

18898 Views

Last post by fabien_tran1
Fri Dec 15, 2023 9:46 pm
Is it worth it to buy a Mac Studio mainly for the VASP calculations?

Last post by jonathan_lahnsteiner2 « Fri Dec 15, 2023 8:50 am
Replies: 1
by duo_wang1 » Wed Dec 06, 2023 11:38 am

1 Replies

21730 Views

Last post by jonathan_lahnsteiner2
Fri Dec 15, 2023 8:50 am
Calculation problem of body-centered cubic uranium

Last post by jonathan_lahnsteiner2 « Fri Dec 15, 2023 8:45 am
Replies: 3
by quanfu_han » Thu Dec 14, 2023 12:51 pm

3 Replies

25886 Views

Last post by jonathan_lahnsteiner2
Fri Dec 15, 2023 8:45 am
Problem in calculations based on thermoelectrics

Last post by jonathan_lahnsteiner2 « Mon Dec 04, 2023 10:53 am
Replies: 1
by ybatraiuac@gmail.com » Mon Dec 04, 2023 9:46 am

1 Replies

21600 Views

Last post by jonathan_lahnsteiner2
Mon Dec 04, 2023 10:53 am
analyzing bands and orbitals after decomposition

Last post by marie-therese.huebsch « Tue Nov 28, 2023 8:24 am
Replies: 6
by marco_infantino » Wed Oct 25, 2023 3:33 pm

6 Replies

44388 Views

Last post by marie-therese.huebsch
Tue Nov 28, 2023 8:24 am
internal error : SETUP_PRIMITIVE_CELL

Last post by henrique_miranda « Thu Nov 16, 2023 4:30 pm
Replies: 1
by marco_infantino » Thu Nov 16, 2023 2:18 pm

1 Replies

19167 Views

Last post by henrique_miranda
Thu Nov 16, 2023 4:30 pm
How to add fermi level as vertical line in the density of state plot

Last post by henrique_miranda « Tue Nov 14, 2023 1:38 pm
Replies: 3
by marco_infantino » Thu Nov 09, 2023 5:04 pm

3 Replies

29104 Views

Last post by henrique_miranda
Tue Nov 14, 2023 1:38 pm
Significance of electron temperature (broadening)

Last post by henrique_miranda « Fri Nov 10, 2023 8:32 am
Replies: 1
by neha_kapila » Thu Nov 09, 2023 5:00 am

1 Replies

23208 Views

Last post by henrique_miranda
Fri Nov 10, 2023 8:32 am
appropriate LMAXMIX value for DFT+U calculations

Last post by pedro_melo « Mon Oct 16, 2023 12:31 pm
Replies: 3
by sophie_weber » Fri Jul 28, 2023 2:56 pm

3 Replies

42968 Views

Last post by pedro_melo
Mon Oct 16, 2023 12:31 pm

New Topic

158 topics

Page 5 of 8
- Jump to page:
Previous
1
…
3
4
5
6
7
8
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