Using VASP

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Charge surface calculation

Last post by fabien_tran1 « Tue Jan 11, 2022 9:44 am
Replies: 1
by tanay11 » Mon Jan 10, 2022 11:08 pm

1 Replies

3146 Views

Last post by fabien_tran1
Tue Jan 11, 2022 9:44 am
Charge surface calculation using NELECT

Last post by fabien_tran1 « Tue Jan 11, 2022 9:42 am
Replies: 5
by tanay11 » Mon Dec 27, 2021 11:35 pm

5 Replies

5902 Views

Last post by fabien_tran1
Tue Jan 11, 2022 9:42 am
BSE and GW optical and structure post processing

Last post by SKM « Mon Jan 10, 2022 2:10 pm
Replies: 14
by SKM » Sat Sep 04, 2021 12:29 pm

14 Replies

20508 Views

Last post by SKM
Mon Jan 10, 2022 2:10 pm
BSE dielectric function of spin-polarization systems

Last post by marie-therese.huebsch « Mon Jan 10, 2022 12:58 pm
Replies: 3
by yuanchang_li » Fri Dec 10, 2021 2:24 am

3 Replies

4927 Views

Last post by marie-therese.huebsch
Mon Jan 10, 2022 12:58 pm
Weird convergence issue involving band occupation problem

Last post by fabien_tran1 « Mon Jan 03, 2022 9:41 pm
Replies: 3
by meng-fu_chen » Fri Dec 24, 2021 1:52 pm

3 Replies

4869 Views

Last post by fabien_tran1
Mon Jan 03, 2022 9:41 pm
PROCAR file issues with HCP lattice structures.

Last post by fabien_tran1 « Mon Jan 03, 2022 9:54 am
Replies: 7
by grace_osullivan » Mon Dec 27, 2021 10:55 am

7 Replies

7428 Views

Last post by fabien_tran1
Mon Jan 03, 2022 9:54 am
band occupation

Last post by IBRAHIM « Mon Dec 27, 2021 12:28 pm
Replies: 4
by IBRAHIM » Mon Dec 27, 2021 8:37 am

4 Replies

4957 Views

Last post by IBRAHIM
Mon Dec 27, 2021 12:28 pm
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

5042 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

20512 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

9041 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

6618 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

15908 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

5126 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

11150 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

8013 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

5181 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

7185 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

7156 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

10300 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

6272 Views

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

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