Using VASP

Moderators: Global Moderator, Moderator

New Topic

5321 topics

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

Topics

Replies

Views

Last post

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

10674 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

14808 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

11675 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

15001 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

11601 Views

Last post by hamza_bouafia_LGP
Mon Oct 02, 2023 3:32 pm
HDF5 call in vhdf5.F:110 produced error: 29

Last post by IBRAHIM « Mon Oct 02, 2023 3:11 am
Replies: 3
by IBRAHIM » Mon Sep 25, 2023 10:15 am

3 Replies

9150 Views

Last post by IBRAHIM
Mon Oct 02, 2023 3:11 am
Can I safely replace the calculation of SCAN+rVV1O with R2SCAN+rVV10?

Last post by chenggoj « Sun Oct 01, 2023 2:38 am
Replies: 4
by chenggoj » Fri Sep 29, 2023 2:03 am

4 Replies

11080 Views

Last post by chenggoj
Sun Oct 01, 2023 2:38 am
Warning or Error? BRMIX: very serious problems

Last post by andreas.singraber « Fri Sep 29, 2023 10:05 am
Replies: 1
by alpinnovianus » Tue Sep 26, 2023 3:37 am

1 Replies

7940 Views

Last post by andreas.singraber
Fri Sep 29, 2023 10:05 am
Limiting VASP output files

Last post by andreas.singraber « Fri Sep 29, 2023 7:33 am
Replies: 3
by burakgurlek » Wed Sep 27, 2023 9:25 pm

3 Replies

9009 Views

Last post by andreas.singraber
Fri Sep 29, 2023 7:33 am
Definition of Error in MLFF

Last post by burakgurlek « Wed Sep 27, 2023 9:07 pm
Replies: 8
by burakgurlek » Thu Sep 07, 2023 1:30 pm

8 Replies

13434 Views

Last post by burakgurlek
Wed Sep 27, 2023 9:07 pm
HSE06 with rVV10

Last post by andreas.singraber « Wed Sep 27, 2023 3:23 pm
Replies: 1
by raj_sah » Wed Sep 27, 2023 4:15 am

1 Replies

7439 Views

Last post by andreas.singraber
Wed Sep 27, 2023 3:23 pm
NEB energy and single-point energy discrepancy

Last post by miguel_san-miguel « Mon Sep 25, 2023 12:02 pm
Replies: 2
by miguel_san-miguel » Sun Sep 24, 2023 5:01 pm

2 Replies

8416 Views

Last post by miguel_san-miguel
Mon Sep 25, 2023 12:02 pm
Couldn't get .amn files while using LSCDM=TRUE and ISPIN=2

Last post by merzuk.kaltak « Mon Sep 25, 2023 7:48 am
Replies: 1
by sadhik22 » Sat Sep 23, 2023 12:41 am

1 Replies

8105 Views

Last post by merzuk.kaltak
Mon Sep 25, 2023 7:48 am
Guidance Needed: KPAR, NPAR, and NCORE Parameter Settings

Last post by Ingrid Švajger « Fri Sep 22, 2023 11:51 am
Replies: 3
by Ingrid Švajger » Tue Jul 18, 2023 9:32 am

3 Replies

9430 Views

Last post by Ingrid Švajger
Fri Sep 22, 2023 11:51 am
IBZKPT file

Last post by merzuk.kaltak « Thu Sep 21, 2023 6:58 am
Replies: 1
by IBRAHIM » Thu Sep 21, 2023 1:26 am

1 Replies

4800 Views

Last post by merzuk.kaltak
Thu Sep 21, 2023 6:58 am
Hubbard term calculations

Last post by merzuk.kaltak « Tue Sep 19, 2023 7:10 am
Replies: 1
by hamza_bouafia_LGP » Mon Sep 18, 2023 5:42 pm

1 Replies

4905 Views

Last post by merzuk.kaltak
Tue Sep 19, 2023 7:10 am
Questions about Collinear and Non-collinear runs

Last post by vahid_askarpour « Mon Sep 18, 2023 7:46 pm
Replies: 13
by hong_tang1 » Tue Sep 21, 2021 3:24 pm

13 Replies

31780 Views

Last post by vahid_askarpour
Mon Sep 18, 2023 7:46 pm
Symmetry in dielectric tensor

Last post by merzuk.kaltak « Mon Sep 18, 2023 12:37 pm
Replies: 2
by mingjian » Wed Sep 13, 2023 4:54 pm

2 Replies

2186 Views

Last post by merzuk.kaltak
Mon Sep 18, 2023 12:37 pm
SOC calculation for non-magnetic material

Last post by merzuk.kaltak « Mon Sep 18, 2023 6:46 am
Replies: 4
by liuhuimeiwoo » Tue Nov 13, 2018 1:48 pm

4 Replies

5621 Views

Last post by merzuk.kaltak
Mon Sep 18, 2023 6:46 am
ERROR in subspace rotation PDSYEVX/ PZHEEVX: not enough eigenvalues

Last post by fabien_tran1 « Fri Sep 15, 2023 2:30 pm
Replies: 2
by rishikanta_m » Sun Sep 10, 2023 11:48 am

2 Replies

5716 Views

Last post by fabien_tran1
Fri Sep 15, 2023 2:30 pm

New Topic

5321 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