From users for users

Moderators: Global Moderator, Moderator

New Topic

145 topics

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

Topics

Replies

Views

Last post

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

18243 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

15449 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

33264 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

13829 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

21685 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

17546 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

34843 Views

Last post by pedro_melo
Mon Oct 16, 2023 12:31 pm
Problem in compiling Xcrysden in Fedora 36

Last post by martin.schlipf « Fri Oct 13, 2023 8:24 am
Replies: 1
by ybatraiuac@gmail.com » Fri Oct 13, 2023 6:45 am

1 Replies

19900 Views

Last post by martin.schlipf
Fri Oct 13, 2023 8:24 am
Continuing a HSE06 band structure calculation in time constrained HPC facility

Last post by alex « Wed Oct 04, 2023 2:03 pm
Replies: 8
by hatedark1 » Fri Jul 28, 2023 5:30 pm

8 Replies

90353 Views

Last post by alex
Wed Oct 04, 2023 2:03 pm
Changing parameters in RPA

Last post by kresse_georg « Wed Sep 20, 2023 6:57 am
Replies: 4
by sc_han » Sun Mar 05, 2023 5:04 pm

4 Replies

37929 Views

Last post by kresse_georg
Wed Sep 20, 2023 6:57 am
Inconsistency between Elastic Moduli Tensor Obtained from Theory and from VASP (IBRION=6)

Last post by juergen.furthmueller « Wed Sep 06, 2023 9:12 pm
Replies: 3
by Nishat Tasnim Hiramony » Fri Jul 21, 2023 7:18 am

3 Replies

45229 Views

Last post by juergen.furthmueller
Wed Sep 06, 2023 9:12 pm
SCF is not converging even if dE goes below EDIFF.

Last post by manuel_engel1 « Tue Aug 22, 2023 6:57 pm
Replies: 1
by bikash.patra » Tue Aug 22, 2023 5:03 pm

1 Replies

32650 Views

Last post by manuel_engel1
Tue Aug 22, 2023 6:57 pm
InSb bandgap problem with MBJ including SOC

Last post by ralf_tonner1 « Mon Jul 31, 2023 9:31 am
Replies: 4
by ralf_tonner1 » Wed Jul 26, 2023 7:36 pm

4 Replies

47893 Views

Last post by ralf_tonner1
Mon Jul 31, 2023 9:31 am
Is Gibbs free energy same as total energy in VASP?

Last post by alex « Fri Jul 28, 2023 6:37 am
Replies: 1
by Seunghwan_Kwon » Thu Jul 27, 2023 8:47 am

1 Replies

30465 Views

Last post by alex
Fri Jul 28, 2023 6:37 am
Error regarding subspace rotation

Last post by alex « Fri Jul 28, 2023 6:34 am
Replies: 3
by subhomoy_gupta » Fri Jul 21, 2023 8:28 pm

3 Replies

35439 Views

Last post by alex
Fri Jul 28, 2023 6:34 am
Convergence issue in slab calculations with Zero-Kpointss

Last post by pedro_melo « Thu Jul 27, 2023 8:02 am
Replies: 1
by rishikanta_m » Thu Jul 27, 2023 4:55 am

1 Replies

31666 Views

Last post by pedro_melo
Thu Jul 27, 2023 8:02 am
Infrared (IR) intensity by VASP 6.3.2

Last post by manoj_wijesingha « Wed Jul 26, 2023 4:46 am
Replies: 2
by manoj_wijesingha » Mon Jul 17, 2023 2:21 pm

2 Replies

33298 Views

Last post by manoj_wijesingha
Wed Jul 26, 2023 4:46 am
How to calculate electronic susceptibility X(q,w)

Last post by pedro_melo « Mon Jul 24, 2023 9:36 am
Replies: 1
by asif_ali28 » Fri Jul 21, 2023 4:45 pm

1 Replies

26525 Views

Last post by pedro_melo
Mon Jul 24, 2023 9:36 am
Densiy of states at Fermi level

Last post by pedro_melo « Fri Jul 21, 2023 11:48 am
Replies: 1
by william_watson » Wed Jul 19, 2023 3:55 pm

1 Replies

25355 Views

Last post by pedro_melo
Fri Jul 21, 2023 11:48 am
gamma-only calculation shows HOMO/LUMO at a different location of the 1st BZ?

Last post by pedro_melo « Fri Jul 21, 2023 11:43 am
Replies: 1
by awang95 » Wed Jul 19, 2023 5:46 pm

1 Replies

25747 Views

Last post by pedro_melo
Fri Jul 21, 2023 11:43 am

New Topic

145 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