Using VASP

Moderators: Global Moderator, Moderator

New Topic

5394 topics

Page 126 of 270
- Jump to page:
Previous
1
…
124
125
126
127
128
…
270
Next

Topics

Replies

Views

Last post

Recommended value for HFRCUT

Last post by ferenc_karsai « Fri Apr 30, 2021 10:04 am
Replies: 2
by Michael.Sluydts » Mon Apr 19, 2021 7:25 pm

2 Replies

3344 Views

Last post by ferenc_karsai
Fri Apr 30, 2021 10:04 am
BSE on hybrid k mesh

Last post by ferenc_karsai « Tue Apr 27, 2021 8:18 am
Replies: 10
by xiaoming_wang » Tue Apr 06, 2021 1:09 am

10 Replies

6962 Views

Last post by ferenc_karsai
Tue Apr 27, 2021 8:18 am
Vasp energy for core level binding energy calculation

Last post by sawantk « Fri Apr 23, 2021 5:16 pm
Replies: 4
by sawantk » Tue Apr 13, 2021 3:09 am

4 Replies

5754 Views

Last post by sawantk
Fri Apr 23, 2021 5:16 pm
Why VASP gives no straight vacuum line for the surface local potential?

Last post by pbsorokin « Tue Apr 20, 2021 6:55 am
Replies: 2
by pbsorokin » Thu Apr 08, 2021 2:46 pm

2 Replies

4081 Views

Last post by pbsorokin
Tue Apr 20, 2021 6:55 am
Lindhard response function

Last post by ferenc_karsai « Mon Apr 19, 2021 6:34 am
Replies: 3
by oleg_feia » Mon Apr 05, 2021 7:53 pm

3 Replies

7697 Views

Last post by ferenc_karsai
Mon Apr 19, 2021 6:34 am
Time consuming in writing wavefunction

Last post by hongyang_ma « Mon Apr 12, 2021 8:54 pm
Replies: 4
by hongyang_ma » Thu Apr 08, 2021 12:44 am

4 Replies

4920 Views

Last post by hongyang_ma
Mon Apr 12, 2021 8:54 pm
Modelling a structure with fractional elements for Bandgap

Last post by SKM « Sun Apr 11, 2021 4:42 am
Replies: 9
by SKM » Thu Mar 11, 2021 1:08 pm

9 Replies

6602 Views

Last post by SKM
Sun Apr 11, 2021 4:42 am
An issue in VCA: the old and the new charge density differ

Last post by ferenc_karsai « Thu Apr 08, 2021 3:40 pm
Replies: 1
by tonghua_yu » Wed Apr 07, 2021 8:23 am

1 Replies

3585 Views

Last post by ferenc_karsai
Thu Apr 08, 2021 3:40 pm
Is there a Version requirement for the MLFF function

Last post by ferenc_karsai « Tue Apr 06, 2021 2:40 pm
Replies: 3
by weiyu_song1 » Thu Mar 25, 2021 6:05 am

3 Replies

3651 Views

Last post by ferenc_karsai
Tue Apr 06, 2021 2:40 pm
How to calculate diffusion co-efficient for a Li- graphite system Using VASP?

Last post by ferenc_karsai « Tue Apr 06, 2021 2:39 pm
Replies: 1
by nimali_rathnayake » Tue Mar 23, 2021 6:42 am

1 Replies

2892 Views

Last post by ferenc_karsai
Tue Apr 06, 2021 2:39 pm
Using different pseudopotentials for the same element

Last post by ferenc_karsai « Tue Apr 06, 2021 2:31 pm
Replies: 1
by pablo_castro » Tue Apr 06, 2021 11:05 am

1 Replies

2776 Views

Last post by ferenc_karsai
Tue Apr 06, 2021 2:31 pm
relaxation of water/ammonia ice slab not converging with B3LYP

Last post by ferenc_karsai « Tue Apr 06, 2021 2:25 pm
Replies: 4
by heisen » Tue Apr 06, 2021 8:35 am

4 Replies

4437 Views

Last post by ferenc_karsai
Tue Apr 06, 2021 2:25 pm
What happens if i set the GGA = PE with the LUSE_VDW = .TRUE. AGGAC = 0.0000?

Last post by merzuk.kaltak « Thu Apr 01, 2021 11:47 am
Replies: 1
by jie_luo » Tue Mar 30, 2021 1:34 am

1 Replies

2691 Views

Last post by merzuk.kaltak
Thu Apr 01, 2021 11:47 am
Different total magnetic moment values with tetrahedron and Gaussian smearing

Last post by merzuk.kaltak « Thu Apr 01, 2021 11:45 am
Replies: 1
by neha_kapila » Thu Apr 01, 2021 5:49 am

1 Replies

2663 Views

Last post by merzuk.kaltak
Thu Apr 01, 2021 11:45 am
optimization of iron slab(110)

Last post by merzuk.kaltak « Thu Mar 25, 2021 10:38 am
Replies: 3
by rachita_panigrahi » Wed Mar 17, 2021 3:41 pm

3 Replies

4046 Views

Last post by merzuk.kaltak
Thu Mar 25, 2021 10:38 am
MAGMOM and NUPDOWN

Last post by neha_kapila « Mon Mar 22, 2021 5:47 am
Replies: 2
by neha_kapila » Tue Mar 16, 2021 10:11 am

2 Replies

3407 Views

Last post by neha_kapila
Mon Mar 22, 2021 5:47 am
Optimizing on the AMD EPYC

Last post by cuikun_lin « Sat Mar 20, 2021 12:39 am
Replies: 4
by cuikun_lin » Wed Mar 03, 2021 11:55 pm

4 Replies

10397 Views

Last post by cuikun_lin
Sat Mar 20, 2021 12:39 am
NEB calculaton

Last post by rachita_panigrahi « Thu Mar 18, 2021 3:43 am
Replies: 4
by rachita_panigrahi » Sat Jan 23, 2021 3:47 am

4 Replies

4846 Views

Last post by rachita_panigrahi
Thu Mar 18, 2021 3:43 am
Hartree-Fock energy in ACFDTR calculations

Last post by benoit « Tue Mar 09, 2021 7:00 pm
Replies: 2
by benoit » Thu Mar 04, 2021 4:39 pm

2 Replies

3643 Views

Last post by benoit
Tue Mar 09, 2021 7:00 pm
Energy of spin spiral compared to ferromagnetic state

Last post by aleeds « Tue Mar 09, 2021 1:25 pm
Replies: 2
by aleeds » Mon Mar 08, 2021 10:31 pm

2 Replies

3373 Views

Last post by aleeds
Tue Mar 09, 2021 1:25 pm

New Topic

5394 topics

Page 126 of 270
- Jump to page:
Previous
1
…
124
125
126
127
128
…
270
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