Using VASP

Moderators: Global Moderator, Moderator

New Topic

5382 topics

Page 229 of 270
- Jump to page:
Previous
1
…
227
228
229
230
231
…
270
Next

Topics

Replies

Views

Last post

NEB calculation

Last post by forsdan « Wed Aug 06, 2008 5:50 pm
Replies: 1
by rghomari » Wed Aug 06, 2008 5:10 pm

1 Replies

1661 Views

Last post by forsdan
Wed Aug 06, 2008 5:50 pm
Spin Orbit Coupling

Last post by admin « Wed Aug 06, 2008 12:14 pm
Replies: 1
by vaspfan » Thu Jul 31, 2008 12:48 pm

1 Replies

1784 Views

Last post by admin
Wed Aug 06, 2008 12:14 pm
dos of CNT

Last post by admin « Wed Aug 06, 2008 12:11 pm
Replies: 1
by crajesh » Wed Jul 30, 2008 5:26 am

1 Replies

1578 Views

Last post by admin
Wed Aug 06, 2008 12:11 pm
no electronic convergence, even with ICHARG=12

Last post by admin « Wed Aug 06, 2008 11:56 am
Replies: 2
by rgc » Mon Jul 28, 2008 3:55 pm

2 Replies

2271 Views

Last post by admin
Wed Aug 06, 2008 11:56 am
NEB error: REAL_OPTLAY

Last post by admin « Wed Aug 06, 2008 11:50 am
Replies: 1
by lighthearted » Mon Jul 28, 2008 12:43 pm

1 Replies

3726 Views

Last post by admin
Wed Aug 06, 2008 11:50 am
spin polarized calculation

Last post by jelenajelic « Tue Aug 05, 2008 7:58 pm
Replies: 2
by jelenajelic » Tue Jul 29, 2008 9:18 pm

2 Replies

3279 Views

Last post by jelenajelic
Tue Aug 05, 2008 7:58 pm
Is it possible to induce a test magnetic moment which is not allowed to relax?

Last post by forsdan « Tue Aug 05, 2008 5:19 pm
Replies: 1
by xwzhang » Tue Aug 05, 2008 4:48 pm

1 Replies

1622 Views

Last post by forsdan
Tue Aug 05, 2008 5:19 pm
When calculating the Elastic constant, should the atom positions relax or not?

Last post by forsdan « Tue Aug 05, 2008 5:13 pm
Replies: 1
by xwzhang » Tue Aug 05, 2008 4:54 pm

1 Replies

1696 Views

Last post by forsdan
Tue Aug 05, 2008 5:13 pm
Hi:) Is there a clever way to set NBANDS automatically?

Last post by forsdan « Tue Aug 05, 2008 5:02 pm
Replies: 1
by xwzhang » Tue Aug 05, 2008 4:44 pm

1 Replies

1508 Views

Last post by forsdan
Tue Aug 05, 2008 5:02 pm
optemization

Last post by forsdan « Wed Jul 30, 2008 6:23 am
Replies: 1
by chemical » Wed Jul 30, 2008 12:12 am

1 Replies

1601 Views

Last post by forsdan
Wed Jul 30, 2008 6:23 am
Lattice parameter change for bulk modulus?

Last post by Jiaye Li « Thu Jul 24, 2008 10:08 am
Replies: 2
by kundog00 » Thu Jul 03, 2008 3:45 pm

2 Replies

2795 Views

Last post by Jiaye Li
Thu Jul 24, 2008 10:08 am
What are the units in OUTCAR file ? (Some of them are not given.)

Last post by jhegedus « Wed Jul 23, 2008 1:51 am
Replies: 2
by jhegedus » Thu Jul 17, 2008 4:11 pm

2 Replies

3644 Views

Last post by jhegedus
Wed Jul 23, 2008 1:51 am
Positive "free energy" in OUTCAR

Last post by Borninger « Mon Jul 21, 2008 2:27 pm
Replies: 10
by Borninger » Tue Jul 15, 2008 3:11 pm

10 Replies

8009 Views

Last post by Borninger
Mon Jul 21, 2008 2:27 pm
Units in CONTCAR

Last post by admin « Thu Jul 17, 2008 5:05 pm
Replies: 3
by pmignon » Tue Jul 15, 2008 2:27 pm

3 Replies

2952 Views

Last post by admin
Thu Jul 17, 2008 5:05 pm
core level shift (XPS spectra) & electrostatic potential at core question

Last post by jhegedus « Wed Jul 16, 2008 6:38 pm
Replies: 2
by jhegedus » Wed Jul 16, 2008 1:06 am

2 Replies

5652 Views

Last post by jhegedus
Wed Jul 16, 2008 6:38 pm
How should I make a POSCAR file using NEB?

Last post by admin « Wed Jul 16, 2008 4:37 pm
Replies: 3
by matylove » Tue Jul 15, 2008 11:54 am

3 Replies

3125 Views

Last post by admin
Wed Jul 16, 2008 4:37 pm
cell volume

Last post by chemical « Wed Jul 16, 2008 1:11 am
Replies: 4
by chemical » Tue Jul 15, 2008 4:47 am

4 Replies

2780 Views

Last post by chemical
Wed Jul 16, 2008 1:11 am
Magnetic moment in an antiferromagnet

Last post by forsdan « Tue Jul 15, 2008 7:35 pm
Replies: 1
by prasen » Tue Jul 15, 2008 7:18 pm

1 Replies

2123 Views

Last post by forsdan
Tue Jul 15, 2008 7:35 pm
Berry phase error

Last post by admin « Tue Jul 15, 2008 1:54 pm
Replies: 1
by brsahu » Tue Jul 15, 2008 2:03 am

1 Replies

2748 Views

Last post by admin
Tue Jul 15, 2008 1:54 pm
Gama-Fe

Last post by rprasad « Mon Jul 14, 2008 4:00 pm
Replies: 4
by rprasad » Tue Jul 08, 2008 9:55 am

4 Replies

2363 Views

Last post by rprasad
Mon Jul 14, 2008 4:00 pm

New Topic

5382 topics

Page 229 of 270
- Jump to page:
Previous
1
…
227
228
229
230
231
…
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