Using VASP

Moderators: Global Moderator, Moderator

New Topic

5828 topics

Page 228 of 292
- Jump to page:
Previous
1
…
226
227
228
229
230
…
292
Next

Topics

Replies

Views

Last post

Hydrogen termination of Si(100)

Last post by Danny « Thu May 27, 2010 8:01 am
Replies: 5
by supreme_general » Wed May 26, 2010 8:02 am

5 Replies

7311 Views

Last post by Danny
Thu May 27, 2010 8:01 am
problem in HSE calculation!

Last post by fzcsydl « Wed May 26, 2010 10:59 pm
Replies: 2
by fzcsydl » Tue May 25, 2010 11:00 pm

2 Replies

4733 Views

Last post by fzcsydl
Wed May 26, 2010 10:59 pm
Surface Si(111) Hydrogen terminated + Molecule

Last post by Oscar_rp « Wed May 26, 2010 7:44 pm
Replies: 2
by Oscar_rp » Wed May 26, 2010 9:09 am

2 Replies

4419 Views

Last post by Oscar_rp
Wed May 26, 2010 7:44 pm
negative fermi energy- surface calculations

Last post by forsdan « Wed May 26, 2010 5:22 pm
Replies: 5
by kamala » Fri May 21, 2010 7:45 am

5 Replies

7931 Views

Last post by forsdan
Wed May 26, 2010 5:22 pm
Problems with GaAs bandgap with HSE hybrid functional (VASP 5.2)

Last post by dhfphysics « Wed May 26, 2010 3:20 am
Replies: 1
by Eugene » Mon Jul 27, 2009 7:44 pm

1 Replies

7246 Views

Last post by dhfphysics
Wed May 26, 2010 3:20 am
Magnetic anisotropy energy of bulk Cobalt

Last post by vasp16888 « Tue May 25, 2010 9:24 pm
Replies: 3
by prasen » Mon Mar 15, 2010 6:08 am

3 Replies

7089 Views

Last post by vasp16888
Tue May 25, 2010 9:24 pm
About the calculation of magnetic anistropies energy

Last post by vasp16888 « Tue May 25, 2010 6:32 pm
Replies: 5
by okuno » Fri Oct 17, 2008 1:35 pm

5 Replies

11530 Views

Last post by vasp16888
Tue May 25, 2010 6:32 pm
ISOTOPE CALCULATION

Last post by forsdan « Mon May 24, 2010 2:48 pm
Replies: 1
by Maximus » Mon May 24, 2010 7:33 am

1 Replies

5689 Views

Last post by forsdan
Mon May 24, 2010 2:48 pm
Fermi energy

Last post by phuongvlpt « Sun May 23, 2010 3:42 pm
Replies: 6
by phuongvlpt » Fri May 07, 2010 8:31 am

6 Replies

6607 Views

Last post by phuongvlpt
Sun May 23, 2010 3:42 pm
K-Point Convergence for Surface Slab.

Last post by alex « Sat May 22, 2010 9:42 am
Replies: 1
by Sharani » Fri May 21, 2010 4:02 pm

1 Replies

4358 Views

Last post by alex
Sat May 22, 2010 9:42 am
decomposed charge density

Last post by Danny « Wed May 19, 2010 7:26 am
Replies: 1
by prlogan » Wed May 12, 2010 10:17 pm

1 Replies

4280 Views

Last post by Danny
Wed May 19, 2010 7:26 am
DYNMAT and hessian matrix

Last post by Danny « Wed May 19, 2010 7:12 am
Replies: 8
by Danny » Tue May 04, 2010 1:01 pm

8 Replies

13720 Views

Last post by Danny
Wed May 19, 2010 7:12 am
Please... help.. me

Last post by panda « Mon May 17, 2010 1:35 pm
Replies: 1
by jjkim » Sun May 16, 2010 11:58 pm

1 Replies

2734 Views

Last post by panda
Mon May 17, 2010 1:35 pm
A basic question about unitcell

Last post by jjkim « Sun May 16, 2010 10:39 am
Replies: 2
by jjkim » Sun May 16, 2010 7:32 am

2 Replies

3461 Views

Last post by jjkim
Sun May 16, 2010 10:39 am
Regarding spin-orbit calculation

Last post by jkg001 « Thu May 13, 2010 4:58 pm
Replies: 1
by soumendu » Tue Aug 05, 2008 11:25 am

1 Replies

5181 Views

Last post by jkg001
Thu May 13, 2010 4:58 pm
Total local potential

Last post by apple « Wed May 12, 2010 9:15 pm
Replies: 2
by apple » Wed May 12, 2010 7:48 pm

2 Replies

5624 Views

Last post by apple
Wed May 12, 2010 9:15 pm
Why there is "d" orbital for Carbon atom

Last post by forsdan « Wed May 12, 2010 11:14 am
Replies: 2
by zhuanghl » Mon May 10, 2010 3:14 pm

2 Replies

3645 Views

Last post by forsdan
Wed May 12, 2010 11:14 am
Energy difference

Last post by panda « Fri May 07, 2010 3:39 pm
Replies: 1
by guo,huaihong » Fri May 07, 2010 11:33 am

1 Replies

3058 Views

Last post by panda
Fri May 07, 2010 3:39 pm
Take a look, here are some important parameters which can improve parallelised calculation!

Last post by vasp16888 « Thu May 06, 2010 10:28 pm
Replies: 6
by vasp16888 » Mon May 03, 2010 10:51 pm

6 Replies

7050 Views

Last post by vasp16888
Thu May 06, 2010 10:28 pm
Convergence problem

Last post by vasp16888 « Thu May 06, 2010 10:22 pm
Replies: 19
by vasp16888 » Fri Apr 23, 2010 4:13 am
1

2
19 Replies

18680 Views

Last post by vasp16888
Thu May 06, 2010 10:22 pm

New Topic

5828 topics

Page 228 of 292
- Jump to page:
Previous
1
…
226
227
228
229
230
…
292
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