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Questions regarding H2 adsorption onto nanolayer

Last post by alex « Wed Nov 02, 2022 10:00 am
Replies: 3
by ryan_brady » Wed Nov 02, 2022 1:34 am

3 Replies

27454 Views

Last post by alex
Wed Nov 02, 2022 10:00 am
Binding energies in VASP

Last post by madhu_menon2 « Mon Oct 03, 2022 2:24 pm
Replies: 3
by madhu_menon2 » Wed Mar 16, 2022 9:24 pm

3 Replies

28368 Views

Last post by madhu_menon2
Mon Oct 03, 2022 2:24 pm
Optimization after application of Strain (Uniaxial or biaxial)

Last post by SKM « Sat Oct 01, 2022 9:21 am
Replies: 1
by rishikanta_m » Tue Sep 13, 2022 4:23 am

1 Replies

19817 Views

Last post by SKM
Sat Oct 01, 2022 9:21 am
do we need to keep WAVECAR/ CHGCAR / CHG files after PBE band computed?

Last post by SKM « Thu Sep 08, 2022 5:03 pm
Replies: 2
by SKM » Mon Sep 05, 2022 1:34 am

2 Replies

19328 Views

Last post by SKM
Thu Sep 08, 2022 5:03 pm
Pseudopotentials

Last post by alexey.tal « Fri Aug 12, 2022 3:04 pm
Replies: 1
by kazeej » Fri Aug 05, 2022 5:22 pm

1 Replies

19407 Views

Last post by alexey.tal
Fri Aug 12, 2022 3:04 pm
Superconductivity

Last post by henrique_miranda « Thu Jul 28, 2022 3:33 pm
Replies: 3
by sarga_pk » Wed Jul 27, 2022 9:48 am

3 Replies

23026 Views

Last post by henrique_miranda
Thu Jul 28, 2022 3:33 pm
Dimer Method for NEB Calculations.

Last post by henrique_miranda « Wed Jul 27, 2022 6:03 am
Replies: 1
by thilini_boteju » Mon Jul 25, 2022 4:57 pm

1 Replies

17167 Views

Last post by henrique_miranda
Wed Jul 27, 2022 6:03 am
Emission spectra of materials

Last post by henrique_miranda « Mon Jul 25, 2022 12:45 pm
Replies: 3
by rishikanta_m » Fri Jul 22, 2022 12:59 pm

3 Replies

23178 Views

Last post by henrique_miranda
Mon Jul 25, 2022 12:45 pm
Using VTST-how to use nebmake.pl script

Last post by bipin_lamichhane1 « Wed Jun 29, 2022 3:16 pm
Replies: 2
by gu301purdue » Mon Jun 06, 2022 1:12 am

2 Replies

22327 Views

Last post by bipin_lamichhane1
Wed Jun 29, 2022 3:16 pm
Supercells

Last post by serenity_3 « Tue Jun 28, 2022 6:15 pm
Replies: 3
by serenity_3 » Mon Jun 27, 2022 8:45 pm

3 Replies

24000 Views

Last post by serenity_3
Tue Jun 28, 2022 6:15 pm
wrong Spin multiplicity result

Last post by fabien_tran1 « Wed Jun 22, 2022 8:24 am
Replies: 5
by min_gao » Tue Jun 21, 2022 7:50 am

5 Replies

29565 Views

Last post by fabien_tran1
Wed Jun 22, 2022 8:24 am
peculiar geometry convergence problem

Last post by martin.schlipf « Fri Jun 10, 2022 6:33 am
Replies: 13
by SKM » Fri Jun 03, 2022 11:50 am

13 Replies

60699 Views

Last post by martin.schlipf
Fri Jun 10, 2022 6:33 am
Initial positive energy in HSE06 band structure calculations

Last post by alexey.tal « Tue Mar 29, 2022 11:34 am
Replies: 1
by ruva17 » Wed Jan 12, 2022 1:25 pm

1 Replies

14572 Views

Last post by alexey.tal
Tue Mar 29, 2022 11:34 am
About rescaling k-point grid in supercell calculations

Last post by ferenc_karsai « Mon Mar 07, 2022 7:10 am
Replies: 1
by alpinnovianus » Sun Mar 06, 2022 12:55 pm

1 Replies

15730 Views

Last post by ferenc_karsai
Mon Mar 07, 2022 7:10 am
Sharing bash scripts about post processing

Last post by marie-therese.huebsch « Thu Feb 10, 2022 6:12 am
Replies: 1
by Jatin19k » Fri Feb 04, 2022 2:01 am

1 Replies

15381 Views

Last post by marie-therese.huebsch
Thu Feb 10, 2022 6:12 am
question on the wiki example on magnetic coupling J

Last post by fabien_tran1 « Thu Jan 13, 2022 9:34 am
Replies: 5
by alpinnovianus » Thu Jan 06, 2022 5:11 pm

5 Replies

26707 Views

Last post by fabien_tran1
Thu Jan 13, 2022 9:34 am
Inconsistency in band structure and PDOS

Last post by fabien_tran1 « Mon Jan 03, 2022 8:55 am
Replies: 1
by akankshaashok_sangolkar » Sun Jan 02, 2022 6:11 pm

1 Replies

15103 Views

Last post by fabien_tran1
Mon Jan 03, 2022 8:55 am
Bandstructure by hybrid functional

Last post by IBRAHIM « Mon Dec 27, 2021 6:31 am
Replies: 3
by IBRAHIM » Tue Dec 21, 2021 1:20 pm

3 Replies

20711 Views

Last post by IBRAHIM
Mon Dec 27, 2021 6:31 am
Hyperfine calculation

Last post by henrique_miranda « Mon Dec 06, 2021 8:54 am
Replies: 5
by pooja_gangare » Wed Dec 01, 2021 6:34 am

5 Replies

39572 Views

Last post by henrique_miranda
Mon Dec 06, 2021 8:54 am
About the NELECT tag and its formulation

Last post by henrique_miranda « Wed Nov 17, 2021 7:50 pm
Replies: 5
by alpinnovianus » Tue Nov 16, 2021 2:40 am

5 Replies

36513 Views

Last post by henrique_miranda
Wed Nov 17, 2021 7:50 pm

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