Using VASP

Moderators: Global Moderator, Moderator

New Topic

5575 topics

Page 132 of 279
- Jump to page:
Previous
1
…
130
131
132
133
134
…
279
Next

Topics

Replies

Views

Last post

parameters in VASP OUTCAR are different from INCAR

Last post by ferenc_karsai « Tue Aug 24, 2021 12:16 pm
Replies: 1
by jingyun_ye4 » Mon Aug 23, 2021 7:07 pm

1 Replies

4157 Views

Last post by ferenc_karsai
Tue Aug 24, 2021 12:16 pm
Is it possible to use SCAN+D3 in VASP?

Last post by ferenc_karsai « Tue Aug 24, 2021 12:14 pm
Replies: 1
by john_low1 » Mon Aug 23, 2021 5:52 pm

1 Replies

4565 Views

Last post by ferenc_karsai
Tue Aug 24, 2021 12:14 pm
Hamiltonian Solver in VASP

Last post by marie-therese.huebsch « Tue Aug 24, 2021 12:47 am
Replies: 3
by KieranSong » Mon Aug 23, 2021 3:55 am

3 Replies

6020 Views

Last post by marie-therese.huebsch
Tue Aug 24, 2021 12:47 am
memory for low scaling ACFDT

Last post by merzuk.kaltak « Mon Aug 23, 2021 9:18 am
Replies: 3
by kdoblhoff » Fri Aug 06, 2021 3:44 pm

3 Replies

5648 Views

Last post by merzuk.kaltak
Mon Aug 23, 2021 9:18 am
What does 'Absolute Chemical Shift tensors' mean in NMR calculation

Last post by marie-therese.huebsch « Mon Aug 23, 2021 6:04 am
Replies: 1
by xhbao502 » Tue Nov 24, 2020 1:01 pm

1 Replies

4764 Views

Last post by marie-therese.huebsch
Mon Aug 23, 2021 6:04 am
Clarification on Si_GW example

Last post by marie-therese.huebsch « Mon Aug 23, 2021 4:05 am
Replies: 1
by SKM » Sun Aug 15, 2021 4:25 am

1 Replies

4558 Views

Last post by marie-therese.huebsch
Mon Aug 23, 2021 4:05 am
Developer version of VASP

Last post by marie-therese.huebsch « Wed Aug 18, 2021 5:12 am
Replies: 1
by tpaudel01 » Fri Aug 13, 2021 9:24 pm

1 Replies

4042 Views

Last post by marie-therese.huebsch
Wed Aug 18, 2021 5:12 am
Use of LDIPOL

Last post by michelsassi « Wed Aug 18, 2021 5:01 am
Replies: 2
by michelsassi » Fri Aug 13, 2021 12:25 am

2 Replies

5376 Views

Last post by michelsassi
Wed Aug 18, 2021 5:01 am
spin-polarized calculation - PARCHR file

Last post by marie-therese.huebsch « Wed Aug 18, 2021 4:48 am
Replies: 1
by marta_gayska » Sat Aug 14, 2021 3:07 pm

1 Replies

4219 Views

Last post by marie-therese.huebsch
Wed Aug 18, 2021 4:48 am
Does "alpha+bet" come from this paper?

Last post by marie-therese.huebsch « Wed Aug 18, 2021 4:29 am
Replies: 1
by craig_plaisance1 » Thu Aug 12, 2021 10:24 pm

1 Replies

4497 Views

Last post by marie-therese.huebsch
Wed Aug 18, 2021 4:29 am
How to adjust the frequency range of dielectric function?

Last post by marie-therese.huebsch « Thu Aug 12, 2021 4:42 am
Replies: 1
by jun-jie_shi1 » Wed Aug 11, 2021 2:16 am

1 Replies

4341 Views

Last post by marie-therese.huebsch
Thu Aug 12, 2021 4:42 am
Phonon dispersion from Virtual Crystal Approximation (VCA) Density Functional Theory (DFPT) job

Last post by likith « Tue Aug 10, 2021 5:22 pm
Replies: 3
by likith » Fri Jul 30, 2021 1:45 pm

3 Replies

6141 Views

Last post by likith
Tue Aug 10, 2021 5:22 pm
Memory requirement for GW step2

Last post by marie-therese.huebsch « Mon Aug 09, 2021 11:47 pm
Replies: 2
by chandra_sarap1 » Mon Jul 26, 2021 4:41 pm

2 Replies

5038 Views

Last post by marie-therese.huebsch
Mon Aug 09, 2021 11:47 pm
Discrepancy between Minimum Energy and 0 Pressure of Amorphous Simulations

Last post by marie-therese.huebsch « Mon Aug 09, 2021 11:08 pm
Replies: 1
by ccrook » Mon Aug 09, 2021 10:28 pm

1 Replies

4141 Views

Last post by marie-therese.huebsch
Mon Aug 09, 2021 11:08 pm
How to know the valence electron configuration?

Last post by marie-therese.huebsch « Mon Aug 09, 2021 2:56 am
Replies: 6
by linglin » Wed Jul 16, 2008 8:05 am

6 Replies

17367 Views

Last post by marie-therese.huebsch
Mon Aug 09, 2021 2:56 am
Stress tensor units in VASP

Last post by marie-therese.huebsch « Sun Aug 08, 2021 11:14 pm
Replies: 1
by jmoon17 » Sat Jan 23, 2021 1:22 am

1 Replies

6280 Views

Last post by marie-therese.huebsch
Sun Aug 08, 2021 11:14 pm
Gamma point energy comparison

Last post by marie-therese.huebsch « Sun Aug 08, 2021 10:49 pm
Replies: 5
by SKM » Mon Aug 02, 2021 8:36 am

5 Replies

8474 Views

Last post by marie-therese.huebsch
Sun Aug 08, 2021 10:49 pm
LDAUPRINT Parameter in LDA + U Calculations

Last post by marie-therese.huebsch « Sat Aug 07, 2021 2:47 am
Replies: 1
by rmz4ed » Fri Aug 06, 2021 2:45 pm

1 Replies

4473 Views

Last post by marie-therese.huebsch
Sat Aug 07, 2021 2:47 am
Speed up DFPT calculations

Last post by marie-therese.huebsch « Fri Aug 06, 2021 12:33 am
Replies: 1
by janosh » Thu Aug 05, 2021 12:34 pm

1 Replies

4424 Views

Last post by marie-therese.huebsch
Fri Aug 06, 2021 12:33 am
strange behavior of PAW double counting energy

Last post by henrique_miranda « Thu Aug 05, 2021 8:57 am
Replies: 7
by yingma » Sat Jul 17, 2021 5:38 pm

7 Replies

9137 Views

Last post by henrique_miranda
Thu Aug 05, 2021 8:57 am

New Topic

5575 topics

Page 132 of 279
- Jump to page:
Previous
1
…
130
131
132
133
134
…
279
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