Using VASP

Moderators: Global Moderator, Moderator

New Topic

5394 topics

Page 127 of 270
- Jump to page:
Previous
1
…
125
126
127
128
129
…
270
Next

Topics

Replies

Views

Last post

Band Decomposed Charge density

Last post by merzuk.kaltak « Mon Mar 08, 2021 9:09 am
Replies: 1
by neha_kapila » Sun Mar 07, 2021 8:15 am

1 Replies

2966 Views

Last post by merzuk.kaltak
Mon Mar 08, 2021 9:09 am
Help: How to obtain vtotav.f

Last post by cattlesheep « Fri Feb 26, 2021 5:33 am
Replies: 2
by cattlesheep » Wed Feb 24, 2021 10:22 am

2 Replies

3482 Views

Last post by cattlesheep
Fri Feb 26, 2021 5:33 am
How to freeze atoms in POSCAR using F/T tags

Last post by nimali_rathnayake « Thu Feb 25, 2021 10:32 am
Replies: 2
by nimali_rathnayake » Wed Feb 24, 2021 1:54 am

2 Replies

4259 Views

Last post by nimali_rathnayake
Thu Feb 25, 2021 10:32 am
Band structure with HSE hybrid functional

Last post by pascal_boulet1 « Tue Feb 23, 2021 7:36 pm
Replies: 2
by pascal_boulet1 » Thu Feb 18, 2021 2:16 pm

2 Replies

3342 Views

Last post by pascal_boulet1
Tue Feb 23, 2021 7:36 pm
r2SCAN in VASP 6.2.0

Last post by henrique_miranda « Tue Feb 23, 2021 11:30 am
Replies: 1
by Faber_ » Fri Feb 19, 2021 10:19 am

1 Replies

3292 Views

Last post by henrique_miranda
Tue Feb 23, 2021 11:30 am
Error while using IBRION=8

Last post by henrique_miranda « Mon Feb 22, 2021 12:29 pm
Replies: 18
by abdul_jaleel1 » Fri Jan 22, 2021 12:51 pm
1

2
18 Replies

34818 Views

Last post by henrique_miranda
Mon Feb 22, 2021 12:29 pm
Vasp 6.2.0 with Wannier 3.1.0: wrong num_wann

Last post by henrique_miranda « Thu Feb 18, 2021 12:01 pm
Replies: 3
by mistguy » Wed Feb 17, 2021 4:45 pm

3 Replies

13178 Views

Last post by henrique_miranda
Thu Feb 18, 2021 12:01 pm
Optical properties of 2D materials. Segmentation fault

Last post by henrique_miranda « Wed Feb 17, 2021 3:11 pm
Replies: 1
by abdul_jaleel1 » Wed Feb 17, 2021 7:11 am

1 Replies

3360 Views

Last post by henrique_miranda
Wed Feb 17, 2021 3:11 pm
how to setup KPOINTS file for GW band structure

Last post by henrique_miranda « Wed Feb 17, 2021 3:05 pm
Replies: 1
by che5-353 » Wed Feb 17, 2021 1:16 pm

1 Replies

2627 Views

Last post by henrique_miranda
Wed Feb 17, 2021 3:05 pm
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

5287 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

4116 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

12018 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

5186 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

2704 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

3638 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

11022 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

12740 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

2602 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

5642 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

12160 Views

Last post by henrique_miranda
Mon Feb 08, 2021 6:16 pm

New Topic

5394 topics

Page 127 of 270
- Jump to page:
Previous
1
…
125
126
127
128
129
…
270
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