Using VASP

Moderators: Global Moderator, Moderator

New Topic

5410 topics

Page 91 of 271
- Jump to page:
Previous
1
…
89
90
91
92
93
…
271
Next

Topics

Replies

Views

Last post

NCORE warning during NEB calculation

Last post by fabien_tran1 « Thu Nov 23, 2023 11:07 am
Replies: 1
by julien_steffen » Tue Nov 21, 2023 12:04 pm

1 Replies

2482 Views

Last post by fabien_tran1
Thu Nov 23, 2023 11:07 am
Convergence problem with ALGO=VeryFast and LDIAG=.FALSE.

Last post by fabien_tran1 « Wed Nov 22, 2023 4:55 pm
Replies: 1
by Kousei » Wed Jan 04, 2023 9:39 am

1 Replies

2828 Views

Last post by fabien_tran1
Wed Nov 22, 2023 4:55 pm
Fermi level shift after Wannierization

Last post by ahsan_javed « Wed Nov 22, 2023 12:35 pm
Replies: 4
by ahsan_javed » Fri Nov 17, 2023 1:04 pm

4 Replies

2729 Views

Last post by ahsan_javed
Wed Nov 22, 2023 12:35 pm
restarting GW calculation

Last post by fabien_tran1 « Tue Nov 21, 2023 6:03 pm
Replies: 3
by kdoblhoff » Tue Nov 21, 2023 10:32 am

3 Replies

2544 Views

Last post by fabien_tran1
Tue Nov 21, 2023 6:03 pm
Stress Tensor comparison DFT/ML-FF

Last post by julien_steffen « Tue Nov 21, 2023 11:31 am
Replies: 2
by julien_steffen » Tue Nov 14, 2023 11:24 am

2 Replies

2209 Views

Last post by julien_steffen
Tue Nov 21, 2023 11:31 am
Optimization of small Ru4 cluster with N2 yields nonsensical structure

Last post by julien_steffen « Tue Nov 21, 2023 11:16 am
Replies: 2
by julien_steffen » Tue Nov 14, 2023 3:19 pm

2 Replies

2079 Views

Last post by julien_steffen
Tue Nov 21, 2023 11:16 am
When should a wavecar file definitely be read.

Last post by fabien_tran1 « Tue Nov 21, 2023 10:10 am
Replies: 1
by pranjal222 » Tue Nov 21, 2023 9:51 am

1 Replies

1314 Views

Last post by fabien_tran1
Tue Nov 21, 2023 10:10 am
Problem in visualisation/plots after Phonon calculation using Phonopy

Last post by fabien_tran1 « Tue Nov 21, 2023 8:25 am
Replies: 1
by ybatraiuac@gmail.com » Tue Nov 21, 2023 5:36 am

1 Replies

1701 Views

Last post by fabien_tran1
Tue Nov 21, 2023 8:25 am
meaning of PARCHG for unoccupied bands

Last post by awang95 « Mon Nov 20, 2023 5:09 pm
Replies: 2
by awang95 » Mon Nov 20, 2023 6:41 am

2 Replies

1912 Views

Last post by awang95
Mon Nov 20, 2023 5:09 pm
LEPSILON with metaGGA

Last post by fabien_tran1 « Mon Nov 20, 2023 11:14 am
Replies: 1
by hamza_bouafia_LGP » Wed Nov 15, 2023 9:57 am

1 Replies

1265 Views

Last post by fabien_tran1
Mon Nov 20, 2023 11:14 am
Error in wannier calculation using VASP6.4.1

Last post by henrique_miranda « Mon Nov 20, 2023 7:37 am
Replies: 1
by nirmal_ganguli2 » Mon Nov 20, 2023 6:09 am

1 Replies

1477 Views

Last post by henrique_miranda
Mon Nov 20, 2023 7:37 am
Error "Neighbour not found" Wannier90

Last post by henrique_miranda « Fri Nov 17, 2023 3:54 pm
Replies: 1
by francesco_delodovici » Fri Nov 17, 2023 11:16 am

1 Replies

1454 Views

Last post by henrique_miranda
Fri Nov 17, 2023 3:54 pm
questions about CHGCAR from TD-DFT

Last post by awang95 « Thu Nov 16, 2023 4:55 pm
Replies: 2
by awang95 » Wed Nov 15, 2023 11:39 pm

2 Replies

1742 Views

Last post by awang95
Thu Nov 16, 2023 4:55 pm
ionic relaxation and PES in the excited state (TDDFT or GW/BSE)?

Last post by awang95 « Thu Nov 16, 2023 4:54 pm
Replies: 2
by awang95 » Wed Nov 15, 2023 7:23 pm

2 Replies

1551 Views

Last post by awang95
Thu Nov 16, 2023 4:54 pm
Several questions about ML_ff in VASP

Last post by rwindiks « Thu Nov 16, 2023 10:10 am
Replies: 3
by suojiang_zhang1 » Tue Nov 14, 2023 9:44 am

3 Replies

3108 Views

Last post by rwindiks
Thu Nov 16, 2023 10:10 am
vasp minimization run exits without printing a useful error

Last post by henrique_miranda « Wed Nov 15, 2023 6:08 am
Replies: 1
by jpg » Tue Nov 14, 2023 7:52 pm

1 Replies

1350 Views

Last post by henrique_miranda
Wed Nov 15, 2023 6:08 am
Questions about optB88-vdW settings

Last post by jun_yin2 « Wed Nov 15, 2023 12:50 am
Replies: 2
by jun_yin2 » Tue Nov 14, 2023 1:17 pm

2 Replies

1542 Views

Last post by jun_yin2
Wed Nov 15, 2023 12:50 am
internal ERROR: LINEAR_RESPONSE_DIIS matrix is zero, try to call with LRESET

Last post by jpg « Tue Nov 14, 2023 5:37 pm
Replies: 3
by jpg » Mon Nov 13, 2023 3:44 am

3 Replies

1889 Views

Last post by jpg
Tue Nov 14, 2023 5:37 pm
Give initial velocity in POSCAR for Ab Initio Molecular Dynamics

Last post by henrique_miranda « Mon Nov 13, 2023 1:03 pm
Replies: 1
by Seunghwan_Kwon » Mon Nov 13, 2023 5:07 am

1 Replies

1417 Views

Last post by henrique_miranda
Mon Nov 13, 2023 1:03 pm
Availability of previous POTCAR files

Last post by kevintibbetts « Tue Nov 07, 2023 6:44 pm
Replies: 2
by kevintibbetts » Fri Nov 03, 2023 1:50 pm

2 Replies

4072 Views

Last post by kevintibbetts
Tue Nov 07, 2023 6:44 pm

New Topic

5410 topics

Page 91 of 271
- Jump to page:
Previous
1
…
89
90
91
92
93
…
271
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