Using VASP

Moderators: Global Moderator, Moderator

New Topic

5336 topics

Page 89 of 267
- Jump to page:
Previous
1
…
87
88
89
90
91
…
267
Next

Topics

Replies

Views

Last post

VCA in VASP 6.4 (with more than 2 elements having partial occupancy)

Last post by seyyedfaridoddin_fattahpour « Tue Oct 24, 2023 9:09 pm
Replies: 2
by seyyedfaridoddin_fattahpour » Mon Oct 23, 2023 5:33 pm

2 Replies

3406 Views

Last post by seyyedfaridoddin_fattahpour
Tue Oct 24, 2023 9:09 pm
Long MLFF learning times before SCF loops

Last post by andreas.singraber « Tue Oct 24, 2023 2:27 pm
Replies: 3
by burakgurlek » Tue Oct 17, 2023 5:21 pm

3 Replies

4360 Views

Last post by andreas.singraber
Tue Oct 24, 2023 2:27 pm
Negative values of piezoelectric tensor

Last post by marie-therese.huebsch « Tue Oct 24, 2023 7:52 am
Replies: 1
by prince_sharma » Sat Oct 21, 2023 2:43 am

1 Replies

1660 Views

Last post by marie-therese.huebsch
Tue Oct 24, 2023 7:52 am
Sub-Space-Matrix is not hermitian in surface slab calculation

Last post by julien_steffen « Mon Oct 23, 2023 3:39 pm
Replies: 2
by julien_steffen » Wed Oct 18, 2023 11:35 am

2 Replies

3796 Views

Last post by julien_steffen
Mon Oct 23, 2023 3:39 pm
Second harmonic generation calculations using vasp

Last post by rbhttri1 « Mon Oct 23, 2023 2:56 pm
Replies: 2
by rbhttri1 » Thu Oct 19, 2023 1:56 am

2 Replies

3435 Views

Last post by rbhttri1
Mon Oct 23, 2023 2:56 pm
Efficiency of Simultaneous Multithreading on a Cluster

Last post by mwuensch « Sun Oct 22, 2023 5:00 pm
Replies: 4
by mwuensch » Wed Oct 18, 2023 10:14 am

4 Replies

5186 Views

Last post by mwuensch
Sun Oct 22, 2023 5:00 pm
Zab_VDW parameter does not show in OUTCAR

Last post by gullbrekken « Sun Oct 22, 2023 11:43 am
Replies: 2
by gullbrekken » Sat Oct 21, 2023 9:01 am

2 Replies

1936 Views

Last post by gullbrekken
Sun Oct 22, 2023 11:43 am
superposition of atomic charge density

Last post by martin.schlipf « Fri Oct 20, 2023 7:15 am
Replies: 1
by li25662 » Thu Oct 19, 2023 9:26 pm

1 Replies

1969 Views

Last post by martin.schlipf
Fri Oct 20, 2023 7:15 am
Complex band structure

Last post by martin.schlipf « Fri Oct 20, 2023 6:22 am
Replies: 1
by golam_morshed » Mon Oct 16, 2023 6:23 pm

1 Replies

2090 Views

Last post by martin.schlipf
Fri Oct 20, 2023 6:22 am
Number of electrons for PARCHG for each k and n is 2?

Last post by yu-chang_chen2 « Wed Oct 18, 2023 5:18 pm
Replies: 4
by yu-chang_chen2 » Mon Oct 16, 2023 4:33 pm

4 Replies

3870 Views

Last post by yu-chang_chen2
Wed Oct 18, 2023 5:18 pm
MLFF Mode SELECT & ALGO = All

Last post by rwindiks « Tue Oct 17, 2023 3:58 pm
Replies: 1
by rwindiks » Mon Oct 16, 2023 5:09 pm

1 Replies

1995 Views

Last post by rwindiks
Tue Oct 17, 2023 3:58 pm
OUTCAR verbosity tags for long relaxations: Suppress bandstructure info for each ionic step while keeping the forces and

Last post by martin.schlipf « Tue Oct 17, 2023 9:30 am
Replies: 3
by LassiL » Fri Oct 13, 2023 12:07 pm

3 Replies

5247 Views

Last post by martin.schlipf
Tue Oct 17, 2023 9:30 am
Constrained magnetic calculations strategy

Last post by sophie_weber « Thu Oct 12, 2023 10:04 am
Replies: 2
by sophie_weber » Thu Sep 28, 2023 10:00 am

2 Replies

10272 Views

Last post by sophie_weber
Thu Oct 12, 2023 10:04 am
MLFF stages of training

Last post by dylan_durkee « Fri Oct 06, 2023 8:07 pm
Replies: 11
by dylan_durkee » Mon Apr 24, 2023 3:26 pm

11 Replies

25124 Views

Last post by dylan_durkee
Fri Oct 06, 2023 8:07 pm
Magnetic moments are zero in OSZICAR

Last post by vahid_askarpour « Fri Oct 06, 2023 6:54 pm
Replies: 1
by vahid_askarpour » Fri Oct 06, 2023 5:26 pm

1 Replies

5488 Views

Last post by vahid_askarpour
Fri Oct 06, 2023 6:54 pm
Band.gap file for hetero structure is not generated after post-processing.

Last post by andreas.singraber « Fri Oct 06, 2023 10:03 am
Replies: 3
by RAMANDEEP SINGH » Thu Sep 28, 2023 10:15 am

3 Replies

10723 Views

Last post by andreas.singraber
Fri Oct 06, 2023 10:03 am
Can cluster molecule models with vacuum on a,b and c sides be run with ISIF=2?

Last post by SKM « Fri Oct 06, 2023 4:38 am
Replies: 5
by SKM » Tue Oct 03, 2023 8:27 am

5 Replies

14881 Views

Last post by SKM
Fri Oct 06, 2023 4:38 am
Phonon calculation in parallel mode

Last post by nigel_hew « Wed Oct 04, 2023 1:38 pm
Replies: 5
by Tobias Kraemer » Thu Jul 20, 2017 4:29 pm

5 Replies

11727 Views

Last post by nigel_hew
Wed Oct 04, 2023 1:38 pm
Problem to calculate SCF + nonSCF with KPOINTS_OPT in relation with parallel keywordoptions

Last post by pascal_boulet1 « Tue Oct 03, 2023 12:28 pm
Replies: 5
by pascal_boulet1 » Sat Jul 22, 2023 2:59 pm

5 Replies

15046 Views

Last post by pascal_boulet1
Tue Oct 03, 2023 12:28 pm
DFPT (IBRION = 8)

Last post by hamza_bouafia_LGP « Mon Oct 02, 2023 3:32 pm
Replies: 6
by hamza_bouafia_LGP » Thu Sep 21, 2023 9:07 am

6 Replies

11707 Views

Last post by hamza_bouafia_LGP
Mon Oct 02, 2023 3:32 pm

New Topic

5336 topics

Page 89 of 267
- Jump to page:
Previous
1
…
87
88
89
90
91
…
267
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