Using VASP

Moderators: Global Moderator, Moderator

New Topic

5594 topics

Page 138 of 280
- Jump to page:
Previous
1
…
136
137
138
139
140
…
280
Next

Topics

Replies

Views

Last post

Regarding DOS calculation

Last post by chengcheng_xiao1 « Wed Feb 17, 2021 1:16 pm
Replies: 4
by chandan_kumarvishwakarma1 » Tue Feb 09, 2021 5:55 am

4 Replies

7615 Views

Last post by chengcheng_xiao1
Wed Feb 17, 2021 1:16 pm
ACFDT-RPA in vasp 6

Last post by kdoblhoff « Tue Feb 16, 2021 10:19 am
Replies: 3
by kdoblhoff » Fri Feb 05, 2021 7:53 am

3 Replies

5760 Views

Last post by kdoblhoff
Tue Feb 16, 2021 10:19 am
Geometry Optimization with RPA

Last post by john_low1 « Mon Feb 15, 2021 8:00 pm
Replies: 10
by john_low1 » Mon Nov 16, 2020 1:14 pm

10 Replies

15654 Views

Last post by john_low1
Mon Feb 15, 2021 8:00 pm
Problem Running NEB calculations

Last post by thijs_smolders « Mon Feb 15, 2021 4:27 pm
Replies: 3
by nimali_rathnayake » Wed Feb 03, 2021 5:52 am

3 Replies

7003 Views

Last post by thijs_smolders
Mon Feb 15, 2021 4:27 pm
Troubles converging low scaling RPA for metallic systems with band crossings

Last post by merzuk.kaltak « Mon Feb 15, 2021 11:53 am
Replies: 1
by kdoblhoff » Thu Feb 11, 2021 12:50 pm

1 Replies

3750 Views

Last post by merzuk.kaltak
Mon Feb 15, 2021 11:53 am
VASP 6.2.0: How to use DFTD4?

Last post by martin.schlipf « Mon Feb 15, 2021 9:26 am
Replies: 1
by thda0531 » Fri Feb 12, 2021 9:43 am

1 Replies

4810 Views

Last post by martin.schlipf
Mon Feb 15, 2021 9:26 am
ERROR FEXCP

Last post by henrique_miranda « Fri Feb 12, 2021 5:58 pm
Replies: 7
by fabella » Thu Jul 20, 2006 7:47 pm

7 Replies

14733 Views

Last post by henrique_miranda
Fri Feb 12, 2021 5:58 pm
ERROR FEXCP: supplied Exchange-correletion table

Last post by henrique_miranda « Fri Feb 12, 2021 5:56 pm
Replies: 3
by gus.hart » Mon Feb 08, 2021 1:23 pm

3 Replies

15531 Views

Last post by henrique_miranda
Fri Feb 12, 2021 5:56 pm
Question on HSE06 in vasp.5.4.4

Last post by henrique_miranda « Wed Feb 10, 2021 5:01 pm
Replies: 1
by hong_tang1 » Tue Feb 09, 2021 6:03 am

1 Replies

3686 Views

Last post by henrique_miranda
Wed Feb 10, 2021 5:01 pm
Help me for how to choose the k-point grid

Last post by henrique_miranda « Tue Feb 09, 2021 5:29 pm
Replies: 5
by hong_tang1 » Thu Jan 21, 2021 10:49 pm

5 Replies

8933 Views

Last post by henrique_miranda
Tue Feb 09, 2021 5:29 pm
About the Magnetic Anisotropy Energy

Last post by henrique_miranda « Mon Feb 08, 2021 6:16 pm
Replies: 9
by jctung » Wed Aug 29, 2007 6:55 am

9 Replies

17826 Views

Last post by henrique_miranda
Mon Feb 08, 2021 6:16 pm
wannier90 and spin projections

Last post by henrique_miranda « Mon Feb 08, 2021 5:35 pm
Replies: 5
by michaela._fechner » Fri Feb 05, 2021 1:23 pm

5 Replies

10869 Views

Last post by henrique_miranda
Mon Feb 08, 2021 5:35 pm
SCF convergence for a big system

Last post by SKM « Sun Feb 07, 2021 9:59 am
Replies: 21
by quan.phung » Wed Feb 29, 2012 12:39 pm
1

2
21 Replies

33667 Views

Last post by SKM
Sun Feb 07, 2021 9:59 am
Not getting a spin polarised DOS in spin orbit coupling calculation

Last post by henrique_miranda « Fri Feb 05, 2021 11:31 am
Replies: 1
by scanmat_centre » Tue Feb 02, 2021 4:17 am

1 Replies

4108 Views

Last post by henrique_miranda
Fri Feb 05, 2021 11:31 am
Dipole Correction in charged bulk KTaO3 systems

Last post by henrique_miranda « Fri Feb 05, 2021 10:55 am
Replies: 5
by Bmodak » Wed Jan 27, 2021 9:13 am

5 Replies

6810 Views

Last post by henrique_miranda
Fri Feb 05, 2021 10:55 am
Polarization calculation VASP

Last post by henrique_miranda « Fri Feb 05, 2021 8:33 am
Replies: 3
by chandan_kumarvishwakarma1 » Thu Jan 28, 2021 7:28 am

3 Replies

5729 Views

Last post by henrique_miranda
Fri Feb 05, 2021 8:33 am
Is VASP capable to deal with charged slab system with NELECT?

Last post by ziyi_wang « Wed Feb 03, 2021 10:07 pm
Replies: 4
by ziyi_wang » Fri Jan 08, 2021 9:43 pm

4 Replies

6870 Views

Last post by ziyi_wang
Wed Feb 03, 2021 10:07 pm
Typo in wiki

Last post by henrique_miranda « Tue Feb 02, 2021 7:00 am
Replies: 1
by chengcheng_xiao1 » Tue Feb 02, 2021 12:15 am

1 Replies

3691 Views

Last post by henrique_miranda
Tue Feb 02, 2021 7:00 am
Problem with Langevin thermostat in NPT MD simulation

Last post by henrique_miranda « Mon Feb 01, 2021 3:43 pm
Replies: 1
by praveenkumar_hiremath1 » Thu Jan 21, 2021 10:57 am

1 Replies

4918 Views

Last post by henrique_miranda
Mon Feb 01, 2021 3:43 pm
USPP, PW91 and PBE

Last post by henrique_miranda « Mon Feb 01, 2021 10:31 am
Replies: 9
by monty-wang » Wed Jan 06, 2021 2:32 pm

9 Replies

11626 Views

Last post by henrique_miranda
Mon Feb 01, 2021 10:31 am

New Topic

5594 topics

Page 138 of 280
- Jump to page:
Previous
1
…
136
137
138
139
140
…
280
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