Using VASP

Moderators: Global Moderator, Moderator

New Topic

5432 topics

Page 110 of 272
- Jump to page:
Previous
1
…
108
109
110
111
112
…
272
Next

Topics

Replies

Views

Last post

Issue with energy differences in charged unit cell

Last post by jonathan_lahnsteiner2 « Wed Nov 02, 2022 8:32 am
Replies: 1
by alexandra_mcisaac » Mon Oct 31, 2022 12:36 am

1 Replies

1924 Views

Last post by jonathan_lahnsteiner2
Wed Nov 02, 2022 8:32 am
constr_cell_relax.F - variable cell constrained relax

Last post by yasuhide_mochizuki1 « Tue Nov 01, 2022 6:55 am
Replies: 2
by fiori » Fri Jan 29, 2016 5:44 pm

2 Replies

5401 Views

Last post by yasuhide_mochizuki1
Tue Nov 01, 2022 6:55 am
HSE06 and B3LYP calculations

Last post by fabien_tran1 « Sat Oct 29, 2022 10:19 am
Replies: 3
by armando_derezende » Fri Oct 28, 2022 6:31 pm

3 Replies

2851 Views

Last post by fabien_tran1
Sat Oct 29, 2022 10:19 am
Visualization of spin dynamincs

Last post by jonathan_lahnsteiner2 « Fri Oct 28, 2022 7:49 am
Replies: 1
by scanmat_centre » Thu Oct 27, 2022 11:55 am

1 Replies

2064 Views

Last post by jonathan_lahnsteiner2
Fri Oct 28, 2022 7:49 am
XAS for ZnO

Last post by martin.schlipf « Fri Oct 28, 2022 7:35 am
Replies: 6
by asiyeh_shokri2 » Thu Oct 06, 2022 7:46 am

6 Replies

5340 Views

Last post by martin.schlipf
Fri Oct 28, 2022 7:35 am
whether to keep PSTRESS tag in INCAR after relaxation

Last post by jonathan_lahnsteiner2 « Fri Oct 28, 2022 6:47 am
Replies: 1
by alpinnovianus » Fri Oct 28, 2022 6:18 am

1 Replies

1906 Views

Last post by jonathan_lahnsteiner2
Fri Oct 28, 2022 6:47 am
How can I calculate the Bandstructure and Bandgap by using HSE06 in pymatgen vasp input sets?

Last post by jonathan_lahnsteiner2 « Fri Oct 28, 2022 5:37 am
Replies: 1
by tanvir008 » Tue Oct 25, 2022 10:43 pm

1 Replies

2700 Views

Last post by jonathan_lahnsteiner2
Fri Oct 28, 2022 5:37 am
ISYM=-1 and using IBZKPT and WAVECAR in spin-orbit coupling calculations to save costs.

Last post by fabien_tran1 « Tue Oct 25, 2022 12:16 pm
Replies: 5
by alpinnovianus » Sun Oct 23, 2022 12:19 am

5 Replies

3731 Views

Last post by fabien_tran1
Tue Oct 25, 2022 12:16 pm
VASP6.3 fails for ncl executable (segmentation fault/error from radial.f90)

Last post by fabien_tran1 « Mon Oct 24, 2022 1:02 pm
Replies: 4
by sophie_weber » Mon Oct 17, 2022 12:17 pm

4 Replies

2700 Views

Last post by fabien_tran1
Mon Oct 24, 2022 1:02 pm
Phonon band structure

Last post by karthik_hj « Sat Oct 22, 2022 9:34 am
Replies: 4
by karthik_hj » Fri Oct 14, 2022 9:37 am

4 Replies

2884 Views

Last post by karthik_hj
Sat Oct 22, 2022 9:34 am
Problem using the newly introduced KPOINTS_ OPT file.

Last post by bikash.patra « Wed Oct 19, 2022 3:37 pm
Replies: 10
by bikash.patra » Tue Oct 11, 2022 6:43 pm

10 Replies

7559 Views

Last post by bikash.patra
Wed Oct 19, 2022 3:37 pm
LDOS

Last post by fabien_tran1 « Wed Oct 19, 2022 2:59 pm
Replies: 1
by sarga_pk » Wed Oct 19, 2022 2:33 pm

1 Replies

1572 Views

Last post by fabien_tran1
Wed Oct 19, 2022 2:59 pm
Should we choose: Free energy TOTEN, energy without entropy or energy(sigma->0)?

Last post by fabien_tran1 « Wed Oct 19, 2022 1:01 pm
Replies: 5
by dyc_2008 » Mon May 14, 2012 10:34 am

5 Replies

7492 Views

Last post by fabien_tran1
Wed Oct 19, 2022 1:01 pm
Electric field calculations VASP

Last post by karthik_hj « Wed Oct 19, 2022 11:18 am
Replies: 2
by karthik_hj » Wed Oct 19, 2022 7:12 am

2 Replies

2171 Views

Last post by karthik_hj
Wed Oct 19, 2022 11:18 am
How to define S in ICONST

Last post by kai_oshiro « Wed Oct 19, 2022 7:34 am
Replies: 2
by kai_oshiro » Tue Oct 18, 2022 5:59 am

2 Replies

2142 Views

Last post by kai_oshiro
Wed Oct 19, 2022 7:34 am
KPOINTS inconsistency in tetragonal body-centered lattice

Last post by gus.hart « Tue Oct 18, 2022 7:04 pm
Replies: 1
by ralf_tonner1 » Tue Oct 12, 2021 6:11 pm

1 Replies

4392 Views

Last post by gus.hart
Tue Oct 18, 2022 7:04 pm
How to set MAXMEM for GW calculations?

Last post by merzuk.kaltak « Mon Oct 17, 2022 12:46 pm
Replies: 2
by pnikacevic » Tue Oct 11, 2022 10:28 am

2 Replies

2347 Views

Last post by merzuk.kaltak
Mon Oct 17, 2022 12:46 pm
Electric field calculation

Last post by fabien_tran1 « Mon Oct 17, 2022 12:34 pm
Replies: 9
by ornis » Mon Mar 13, 2017 11:21 am

9 Replies

7604 Views

Last post by fabien_tran1
Mon Oct 17, 2022 12:34 pm
Inconsistent Bravais lattice types found for crystalline and reciprocal lattice

Last post by aniket_singha « Mon Oct 17, 2022 9:54 am
Replies: 8
by aniket_singha » Sun Oct 16, 2022 10:12 am

8 Replies

8352 Views

Last post by aniket_singha
Mon Oct 17, 2022 9:54 am
External Pressure

Last post by karthik_hj « Mon Oct 17, 2022 5:13 am
Replies: 2
by karthik_hj » Tue Oct 11, 2022 5:02 am

2 Replies

1912 Views

Last post by karthik_hj
Mon Oct 17, 2022 5:13 am

New Topic

5432 topics

Page 110 of 272
- Jump to page:
Previous
1
…
108
109
110
111
112
…
272
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