From users for users

Moderators: Global Moderator, Moderator

New Topic

134 topics

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

Topics

Replies

Views

Last post

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

24997 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

32599 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

20592 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

22574 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

23773 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

21188 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

18669 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

16533 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

16436 Views

Last post by pedro_melo
Fri Jul 21, 2023 11:43 am
Getting a fully relaxed or optimized result

Last post by fabien_tran1 « Fri Jun 23, 2023 8:21 pm
Replies: 5
by subhomoy_gupta » Thu Jun 22, 2023 5:59 pm

5 Replies

15871 Views

Last post by fabien_tran1
Fri Jun 23, 2023 8:21 pm
MDALGO in INCAR for AIMD

Last post by marie-therese.huebsch « Tue Jun 13, 2023 8:42 am
Replies: 3
by exk301 » Sat Jun 10, 2023 7:38 pm

3 Replies

11433 Views

Last post by marie-therese.huebsch
Tue Jun 13, 2023 8:42 am
How we can obtain the entropy (TS) and the potential value (U) to get Gibbs free energy

Last post by manoj_wijesingha « Wed Jun 07, 2023 1:48 pm
Replies: 7
by manoj_wijesingha » Sun Jun 04, 2023 4:22 am

7 Replies

18435 Views

Last post by manoj_wijesingha
Wed Jun 07, 2023 1:48 pm
Final spin state in a spin-polarized SCF calculations

Last post by pascal_boulet1 « Wed May 24, 2023 12:42 pm
Replies: 2
by pascal_boulet1 » Tue Apr 18, 2023 3:53 pm

2 Replies

9919 Views

Last post by pascal_boulet1
Wed May 24, 2023 12:42 pm
Density of states (DOS) Nickel

Last post by msaad22@uic.edu « Mon May 22, 2023 6:22 am
Replies: 2
by msaad22@uic.edu » Wed Apr 05, 2023 7:07 am

2 Replies

10024 Views

Last post by msaad22@uic.edu
Mon May 22, 2023 6:22 am
How to download POTCAR_File

Last post by andreas.singraber « Fri May 19, 2023 12:28 pm
Replies: 6
by Sherif_Yehia1 » Mon Apr 03, 2023 10:54 pm

6 Replies

17289 Views

Last post by andreas.singraber
Fri May 19, 2023 12:28 pm
Pseudopotentials Use for to get specific charge of atom

Last post by merzuk.kaltak « Mon May 08, 2023 7:57 am
Replies: 1
by SKM » Sat May 06, 2023 11:29 am

1 Replies

8360 Views

Last post by merzuk.kaltak
Mon May 08, 2023 7:57 am
can we restart one-shot GW calculation

Last post by asif_ali28 « Tue Apr 11, 2023 4:40 pm
Replies: 5
by asif_ali28 » Sun Apr 02, 2023 4:01 pm

5 Replies

12639 Views

Last post by asif_ali28
Tue Apr 11, 2023 4:40 pm
Wrong density of states

Last post by musanna_galib « Mon Apr 03, 2023 1:26 am
Replies: 2
by musanna_galib » Wed Mar 22, 2023 5:30 am

2 Replies

9308 Views

Last post by musanna_galib
Mon Apr 03, 2023 1:26 am
Removing POTCAR

Last post by pedro_melo « Thu Mar 09, 2023 10:00 am
Replies: 1
by hanwen_jin » Thu Mar 09, 2023 1:20 am

1 Replies

8166 Views

Last post by pedro_melo
Thu Mar 09, 2023 10:00 am
Embedding Calculations

Last post by martin.schlipf « Tue Feb 07, 2023 3:01 pm
Replies: 4
by elena_kolodzeiski » Wed Jan 25, 2023 1:14 pm

4 Replies

23859 Views

Last post by martin.schlipf
Tue Feb 07, 2023 3:01 pm

New Topic

134 topics

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