Using VASP

Moderators: Global Moderator, Moderator

New Topic

4336 topics

Page 1 of 217
- Jump to page:
1
2
3
4
5
…
217
Next

Topics

Replies

Views

Last post

Forum Posting Guidelines

Last post by admin « Mon Sep 24, 2018 1:44 pm

by admin » Mon Sep 24, 2018 1:44 pm

0 Replies

1728 Views

Last post by admin
Mon Sep 24, 2018 1:44 pm
ERROR FEXCP: supplied Exchange-correletion table is too small

Last post by henrique_miranda « Fri Nov 26, 2021 8:59 pm
Replies: 7
by musanna_galib » Mon Nov 22, 2021 1:58 am

7 Replies

175 Views

Last post by henrique_miranda
Fri Nov 26, 2021 8:59 pm
When will the MLFF function be open

Last post by martin.schlipf « Wed Nov 24, 2021 2:05 pm
Replies: 3
by weiyu_song1 » Tue Nov 09, 2021 6:34 am

3 Replies

1218 Views

Last post by martin.schlipf
Wed Nov 24, 2021 2:05 pm
EDIFF can't be recognized

Last post by martin.schlipf « Tue Nov 23, 2021 7:16 am
Replies: 10
by gu301purdue » Thu Nov 04, 2021 1:47 am

10 Replies

533 Views

Last post by martin.schlipf
Tue Nov 23, 2021 7:16 am
How to setup parallel calculations

Last post by martin.schlipf « Tue Nov 23, 2021 7:15 am
Replies: 1
by martin.schlipf » Tue Nov 23, 2021 7:06 am

1 Replies

80 Views

Last post by martin.schlipf
Tue Nov 23, 2021 7:15 am
Problem during ion relaxation

Last post by henrique_miranda « Mon Nov 22, 2021 7:09 am
Replies: 1
by pooja_gangare » Mon Oct 11, 2021 9:42 am

1 Replies

245 Views

Last post by henrique_miranda
Mon Nov 22, 2021 7:09 am
PROOUT files with spin orbit interactions.

Last post by henrique_miranda « Fri Nov 19, 2021 1:51 pm
Replies: 3
by priyamahadevan » Wed Oct 06, 2021 12:48 pm

3 Replies

724 Views

Last post by henrique_miranda
Fri Nov 19, 2021 1:51 pm
how to obtain rotationally invariant orbitals in PDOS projection

Last post by henrique_miranda « Fri Nov 19, 2021 1:31 pm
Replies: 5
by seungjae_kwak » Wed Apr 21, 2021 12:40 pm

5 Replies

516 Views

Last post by henrique_miranda
Fri Nov 19, 2021 1:31 pm
NPAR and the projected magnetizations

Last post by qian_liu1 « Fri Nov 19, 2021 12:25 pm
Replies: 4
by qian_liu1 » Mon Nov 15, 2021 2:05 am

4 Replies

483 Views

Last post by qian_liu1
Fri Nov 19, 2021 12:25 pm
Parallel Wannier Projections

Last post by henrique_miranda « Thu Nov 18, 2021 7:47 am
Replies: 19
by jbackman » Fri Feb 26, 2021 2:02 pm
1

2
19 Replies

2552 Views

Last post by henrique_miranda
Thu Nov 18, 2021 7:47 am
Keywords for LEXCH tag in POTCAR when use different functional

Last post by henrique_miranda « Thu Nov 18, 2021 7:36 am
Replies: 1
by jingyun_ye4 » Tue Nov 16, 2021 2:34 am

1 Replies

212 Views

Last post by henrique_miranda
Thu Nov 18, 2021 7:36 am
symmetry operators in OUTCAR

Last post by tug03990 « Tue Nov 16, 2021 3:32 am
Replies: 4
by tug03990 » Thu Nov 11, 2021 5:55 pm

4 Replies

410 Views

Last post by tug03990
Tue Nov 16, 2021 3:32 am
Is it possible to calculate Exc with a combination of functional in VASP

Last post by jingyun_ye4 « Tue Nov 16, 2021 2:10 am
Replies: 3
by jingyun_ye4 » Tue Oct 19, 2021 3:10 pm

3 Replies

779 Views

Last post by jingyun_ye4
Tue Nov 16, 2021 2:10 am
band structure

Last post by henrique_miranda « Mon Nov 15, 2021 12:01 pm
Replies: 1
by celina_sikorska » Sun Nov 14, 2021 11:57 pm

1 Replies

236 Views

Last post by henrique_miranda
Mon Nov 15, 2021 12:01 pm
Rerunning GW scf (Can vasp reads WFULL00XX.tmp)

Last post by martin.schlipf « Mon Nov 15, 2021 7:03 am
Replies: 1
by muhammadsufyan_razman » Thu Nov 11, 2021 10:21 am

1 Replies

278 Views

Last post by martin.schlipf
Mon Nov 15, 2021 7:03 am
Trouble with hybrid functional calculations using Ferwe=-2

Last post by martin.schlipf « Wed Nov 10, 2021 8:34 am
Replies: 5
by Kousei » Wed Oct 27, 2021 8:28 am

5 Replies

853 Views

Last post by martin.schlipf
Wed Nov 10, 2021 8:34 am
A puzzle for the 2nd ionic step

Last post by martin.schlipf « Fri Nov 05, 2021 7:12 am
Replies: 1
by yhan_vasp » Fri Nov 05, 2021 2:47 am

1 Replies

326 Views

Last post by martin.schlipf
Fri Nov 05, 2021 7:12 am
minimum-image convention for collective variables in metadynamics

Last post by martin.schlipf « Thu Nov 04, 2021 8:50 am
Replies: 1
by lingsanliang » Wed Nov 03, 2021 5:40 pm

1 Replies

262 Views

Last post by martin.schlipf
Thu Nov 04, 2021 8:50 am
Direction of magnetic moment (SAXIS, LNONCOLLINEAR)

Last post by martin.schlipf « Thu Nov 04, 2021 8:22 am
Replies: 3
by kyoyu_kondo » Mon Nov 01, 2021 8:25 am

3 Replies

600 Views

Last post by martin.schlipf
Thu Nov 04, 2021 8:22 am
Diffrent edition of vasp will create diffrent vasprun.xml

Last post by martin.schlipf « Wed Nov 03, 2021 7:53 am
Replies: 6
by stshcs » Tue Oct 26, 2021 3:13 am

6 Replies

1018 Views

Last post by martin.schlipf
Wed Nov 03, 2021 7:53 am

New Topic

4336 topics

Page 1 of 217
- Jump to page:
1
2
3
4
5
…
217
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