Using VASP

Moderators: Global Moderator, Moderator

New Topic

5420 topics

Page 121 of 271
- Jump to page:
Previous
1
…
119
120
121
122
123
…
271
Next

Topics

Replies

Views

Last post

Adsorption simulations

Last post by fabien_tran1 « Fri Dec 24, 2021 5:51 pm
Replies: 3
by fsimeski » Sun Dec 19, 2021 6:10 pm

3 Replies

5351 Views

Last post by fabien_tran1
Fri Dec 24, 2021 5:51 pm
ERROR FEXCP: supplied Exchange-correletion table is too small

Last post by musanna_galib « Thu Dec 23, 2021 12:23 am
Replies: 8
by musanna_galib » Mon Nov 22, 2021 1:58 am

8 Replies

22371 Views

Last post by musanna_galib
Thu Dec 23, 2021 12:23 am
problem writing BSEFATBAND

Last post by xiaoming_wang « Mon Dec 20, 2021 11:59 pm
Replies: 12
by xiaoming_wang » Tue Dec 14, 2021 3:12 am

12 Replies

9399 Views

Last post by xiaoming_wang
Mon Dec 20, 2021 11:59 pm
hse calculation of MnBi2Te4

Last post by fabien_tran1 « Fri Dec 17, 2021 12:16 pm
Replies: 7
by james_boulton » Tue Dec 14, 2021 3:17 pm

7 Replies

6924 Views

Last post by fabien_tran1
Fri Dec 17, 2021 12:16 pm
Keywords for LEXCH tag in POTCAR when use different functional

Last post by henrique_miranda « Tue Dec 14, 2021 5:04 pm
Replies: 5
by jingyun_ye4 » Tue Nov 16, 2021 2:34 am

5 Replies

16314 Views

Last post by henrique_miranda
Tue Dec 14, 2021 5:04 pm
How to model an ion or put a charge on an atom

Last post by fabien_tran1 « Tue Dec 14, 2021 9:28 am
Replies: 1
by seba_varghese » Wed Oct 13, 2021 3:50 pm

1 Replies

5266 Views

Last post by fabien_tran1
Tue Dec 14, 2021 9:28 am
vasp installation with spin spiral

Last post by marie-therese.huebsch « Wed Dec 29, 2021 10:43 am
Replies: 6
by scanmat_centre » Sun Dec 12, 2021 7:51 am

6 Replies

12173 Views

Last post by marie-therese.huebsch
Wed Dec 29, 2021 10:43 am
Two runs gets significantly different energies with ISPIN = 1 and 2 with mag = 0

Last post by henrique_miranda « Sat Dec 11, 2021 3:34 pm
Replies: 1
by yhan_vasp » Sat Dec 04, 2021 9:36 am

1 Replies

8154 Views

Last post by henrique_miranda
Sat Dec 11, 2021 3:34 pm
Why a relaxed structure doesn't converge in static run

Last post by henrique_miranda « Fri Dec 10, 2021 3:17 pm
Replies: 1
by SKM » Mon Dec 06, 2021 1:53 pm

1 Replies

5295 Views

Last post by henrique_miranda
Fri Dec 10, 2021 3:17 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

7319 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

7295 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

10494 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

6371 Views

Last post by henrique_miranda
Mon Dec 06, 2021 7:31 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

15138 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

8822 Views

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

19855 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

7223 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

10028 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

12401 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

9995 Views

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

New Topic

5420 topics

Page 121 of 271
- Jump to page:
Previous
1
…
119
120
121
122
123
…
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