Using VASP

Moderators: Global Moderator, Moderator

New Topic

5607 topics

Page 137 of 281
- Jump to page:
Previous
1
…
135
136
137
138
139
…
281
Next

Topics

Replies

Views

Last post

Metagga MS2 gives positive free energy

Last post by ferenc_karsai « Fri May 07, 2021 12:04 pm
Replies: 5
by richard_kang » Wed Apr 28, 2021 6:34 pm

5 Replies

6740 Views

Last post by ferenc_karsai
Fri May 07, 2021 12:04 pm
optical properties using random phase approximation Method

Last post by ferenc_karsai « Thu May 06, 2021 5:52 am
Replies: 3
by abdul_jaleel1 » Sat Apr 24, 2021 7:47 pm

3 Replies

6732 Views

Last post by ferenc_karsai
Thu May 06, 2021 5:52 am
memory consumption in cubic scaling GW

Last post by ferenc_karsai « Tue May 04, 2021 8:00 am
Replies: 4
by xiaoming_wang » Sun Apr 25, 2021 11:03 pm

4 Replies

5557 Views

Last post by ferenc_karsai
Tue May 04, 2021 8:00 am
k-point projection scheme

Last post by ferenc_karsai « Mon May 03, 2021 6:32 am
Replies: 1
by shaldar » Wed Apr 14, 2021 12:26 pm

1 Replies

3869 Views

Last post by ferenc_karsai
Mon May 03, 2021 6:32 am
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

4735 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

10680 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

8560 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

5743 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

9710 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

7563 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

9671 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

5146 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

5158 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

3905 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

3996 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

6414 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

3682 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

3768 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

5795 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

4862 Views

Last post by neha_kapila
Mon Mar 22, 2021 5:47 am

New Topic

5607 topics

Page 137 of 281
- Jump to page:
Previous
1
…
135
136
137
138
139
…
281
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