Using VASP

Moderators: Global Moderator, Moderator

New Topic

4340 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

2172 Views

Last post by admin
Mon Sep 24, 2018 1:44 pm
Keywords for LEXCH tag in POTCAR when use different functional

Last post by jingyun_ye4 « Tue Dec 07, 2021 2:36 pm
Replies: 4
by jingyun_ye4 » Tue Nov 16, 2021 2:34 am

4 Replies

608 Views

Last post by jingyun_ye4
Tue Dec 07, 2021 2:36 pm
changing the axis of the magnetic moment

Last post by henrique_miranda « Mon Dec 06, 2021 9:57 am
Replies: 1
by alpinnovianus » Fri Dec 03, 2021 6:01 am

1 Replies

100 Views

Last post by henrique_miranda
Mon Dec 06, 2021 9:57 am
Structure optimization with Landau's U correction

Last post by alex « Mon Dec 06, 2021 8:49 am
Replies: 2
by luigi_cavallo1 » Thu Dec 02, 2021 6:25 am

2 Replies

86 Views

Last post by alex
Mon Dec 06, 2021 8:49 am
ALGO=ALL gives eigenvalues with wrong ordering

Last post by henrique_miranda « Mon Dec 06, 2021 7:46 am
Replies: 4
by saeed_bahramy » Sun Nov 24, 2019 1:32 am

4 Replies

1081 Views

Last post by henrique_miranda
Mon Dec 06, 2021 7:46 am
calculation under direction-dependent stress

Last post by henrique_miranda « Mon Dec 06, 2021 7:31 am
Replies: 1
by jinlannie » Sun Dec 05, 2021 2:43 pm

1 Replies

75 Views

Last post by henrique_miranda
Mon Dec 06, 2021 7:31 am
Two runs gets significantly different energies with ISPIN = 1 and 2 with mag = 0

Last post by yhan_vasp « Sat Dec 04, 2021 9:36 am

by yhan_vasp » Sat Dec 04, 2021 9:36 am

0 Replies

55 Views

Last post by yhan_vasp
Sat Dec 04, 2021 9:36 am
scaLAPACK: Routine ZPOTRF ZTRTRI failed! 17 1 1

Last post by martin.schlipf « Fri Dec 03, 2021 7:44 am
Replies: 4
by tanay11 » Sun Oct 31, 2021 1:55 am

4 Replies

1232 Views

Last post by martin.schlipf
Fri Dec 03, 2021 7:44 am
Problem during ion relaxation

Last post by pooja_gangare « Thu Dec 02, 2021 2:48 am
Replies: 2
by pooja_gangare » Mon Oct 11, 2021 9:42 am

2 Replies

438 Views

Last post by pooja_gangare
Thu Dec 02, 2021 2:48 am
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

672 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

1576 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

1105 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

196 Views

Last post by martin.schlipf
Tue Nov 23, 2021 7:15 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

1117 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

731 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

953 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

3655 Views

Last post by henrique_miranda
Thu Nov 18, 2021 7:47 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

682 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

1304 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

474 Views

Last post by henrique_miranda
Mon Nov 15, 2021 12:01 pm

New Topic

4340 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