Using VASP

Moderators: Global Moderator, Moderator

New Topic

5338 topics

Page 169 of 267
- Jump to page:
Previous
1
…
167
168
169
170
171
…
267
Next

Topics

Replies

Views

Last post

Fractional charge

Last post by tlchan « Thu Oct 11, 2012 3:56 am
Replies: 1
by chandrima » Tue Oct 09, 2012 5:33 am

1 Replies

1333 Views

Last post by tlchan
Thu Oct 11, 2012 3:56 am
Interface between wannier90 and vasp

Last post by hipertrofia « Wed Oct 10, 2012 9:44 pm
Replies: 1
by ruthenium » Mon Sep 05, 2011 9:44 am

1 Replies

1585 Views

Last post by hipertrofia
Wed Oct 10, 2012 9:44 pm
How to monitor whether convergence is near

Last post by akulkarni34 « Wed Oct 10, 2012 4:27 am
Replies: 1
by computational » Mon Oct 01, 2012 4:23 pm

1 Replies

1059 Views

Last post by akulkarni34
Wed Oct 10, 2012 4:27 am
OMC scheme for LDA+U

Last post by boris « Tue Oct 09, 2012 1:18 pm
Replies: 1
by vasp5 » Fri Oct 05, 2012 5:30 pm

1 Replies

1070 Views

Last post by boris
Tue Oct 09, 2012 1:18 pm
Can we Change the Atom Mass (POMASS)

Last post by b_lack « Tue Oct 09, 2012 6:44 am
Replies: 4
by b_lack » Tue Sep 25, 2012 10:24 am

4 Replies

2853 Views

Last post by b_lack
Tue Oct 09, 2012 6:44 am
calculation of XANES spectra using VASP

Last post by chorawut « Mon Oct 08, 2012 9:31 pm
Replies: 1
by sphong » Tue Jan 10, 2012 6:21 pm

1 Replies

1832 Views

Last post by chorawut
Mon Oct 08, 2012 9:31 pm
Problems with vacanies and NEB when calculating low symmetry crystals

Last post by postmons « Tue Oct 02, 2012 11:33 pm
Replies: 2
by postmons » Tue Oct 02, 2012 11:16 am

2 Replies

1270 Views

Last post by postmons
Tue Oct 02, 2012 11:33 pm
How to test whether k-points is enough

Last post by deepika « Tue Oct 02, 2012 12:15 pm
Replies: 6
by fzcsydl » Fri Aug 06, 2010 4:38 pm

6 Replies

6557 Views

Last post by deepika
Tue Oct 02, 2012 12:15 pm
calculate H2 molecule with ISPIN=2

Last post by admin « Mon Oct 01, 2012 11:25 am
Replies: 4
by whzhang » Sat Oct 29, 2005 5:06 pm

4 Replies

5315 Views

Last post by admin
Mon Oct 01, 2012 11:25 am
Band-decomposed charge density

Last post by dholec « Thu Sep 27, 2012 8:05 am
Replies: 1
by dholec » Wed Sep 26, 2012 4:35 pm

1 Replies

1069 Views

Last post by dholec
Thu Sep 27, 2012 8:05 am
magnetization density for non-collinear calculation

Last post by elaine2012 « Thu Sep 27, 2012 2:30 am
Replies: 2
by Borninger » Tue Oct 14, 2008 8:57 am

2 Replies

2643 Views

Last post by elaine2012
Thu Sep 27, 2012 2:30 am
Ionic Radius computation

Last post by tlchan « Wed Sep 26, 2012 4:01 am
Replies: 2
by Eduard » Mon Sep 17, 2012 5:24 pm

2 Replies

1904 Views

Last post by tlchan
Wed Sep 26, 2012 4:01 am
setting lda + U parameter

Last post by jedidi « Tue Sep 25, 2012 5:35 pm
Replies: 2
by satish2414 » Fri Sep 14, 2012 9:57 am

2 Replies

2073 Views

Last post by jedidi
Tue Sep 25, 2012 5:35 pm
potential energy as a collective variable in metadynamics

Last post by admin « Tue Sep 25, 2012 3:43 pm
Replies: 1
by liding » Thu Sep 20, 2012 11:55 am

1 Replies

1348 Views

Last post by admin
Tue Sep 25, 2012 3:43 pm
La2CuO4 DOS for LDA & LDA+U

Last post by b_lack « Tue Sep 25, 2012 9:59 am
Replies: 2
by b_lack » Mon Sep 24, 2012 8:17 am

2 Replies

1419 Views

Last post by b_lack
Tue Sep 25, 2012 9:59 am
how to perform constant pressure MD?

Last post by pblanko « Tue Sep 25, 2012 12:43 am
Replies: 1
by nanology » Mon Sep 24, 2012 11:27 pm

1 Replies

1110 Views

Last post by pblanko
Tue Sep 25, 2012 12:43 am
Exchange of atoms...

Last post by Danny « Sun Sep 23, 2012 9:33 pm
Replies: 1
by danith » Wed Sep 12, 2012 4:51 pm

1 Replies

964 Views

Last post by Danny
Sun Sep 23, 2012 9:33 pm
thermostat

Last post by cenwanglai « Sun Sep 16, 2012 2:39 am
Replies: 1
by poivre » Wed Sep 12, 2012 3:52 pm

1 Replies

1354 Views

Last post by cenwanglai
Sun Sep 16, 2012 2:39 am
spin density visualization

Last post by jlrch « Fri Sep 14, 2012 2:59 am
Replies: 1
by d7cf88 » Thu Aug 23, 2012 6:05 pm

1 Replies

2080 Views

Last post by jlrch
Fri Sep 14, 2012 2:59 am
calculating NiO slab energy

Last post by satish2414 « Thu Sep 13, 2012 5:48 pm
Replies: 2
by siva » Tue Oct 18, 2005 5:06 am

2 Replies

2312 Views

Last post by satish2414
Thu Sep 13, 2012 5:48 pm

New Topic

5338 topics

Page 169 of 267
- Jump to page:
Previous
1
…
167
168
169
170
171
…
267
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