Using VASP

Moderators: Global Moderator, Moderator

New Topic

5408 topics

Page 258 of 271
- Jump to page:
Previous
1
…
256
257
258
259
260
…
271
Next

Topics

Replies

Views

Last post

IBRION=3 : how to choose alpha (POTIM) and mu (SMASS) ?

Last post by admin « Tue Sep 26, 2006 11:22 am
Replies: 1
by lahaye » Tue Sep 26, 2006 7:33 am

1 Replies

4853 Views

Last post by admin
Tue Sep 26, 2006 11:22 am
Choosing ENCUT, according to VASP Guide

Last post by tjf « Sun Sep 24, 2006 12:36 pm
Replies: 3
by lahaye » Thu Sep 21, 2006 8:02 am

3 Replies

6641 Views

Last post by tjf
Sun Sep 24, 2006 12:36 pm
How do I surface force constant from bulk force constants?

Last post by tjf « Fri Sep 22, 2006 4:40 pm
Replies: 4
by nfs21cn » Tue Sep 05, 2006 2:18 am

4 Replies

4273 Views

Last post by tjf
Fri Sep 22, 2006 4:40 pm
Negative entropy while relaxing metalic system ?!?

Last post by lahaye « Wed Sep 20, 2006 1:57 pm
Replies: 3
by lahaye » Tue Jul 25, 2006 7:59 am

3 Replies

4671 Views

Last post by lahaye
Wed Sep 20, 2006 1:57 pm
ISMEAR=-3; SMEARINGS=ISMEAR1 SIGMA1 ISMEAR2 SIGMA2 ...

Last post by admin « Tue Sep 19, 2006 7:51 am
Replies: 1
by bandy » Mon Sep 18, 2006 12:42 am

1 Replies

3227 Views

Last post by admin
Tue Sep 19, 2006 7:51 am
any practical COOP reference?

Last post by sondon « Sun Sep 17, 2006 11:53 am
Replies: 2
by sondon » Sun Sep 03, 2006 2:58 pm

2 Replies

4572 Views

Last post by sondon
Sun Sep 17, 2006 11:53 am
Entropy

Last post by bandy « Sat Sep 16, 2006 7:05 am
Replies: 1
by Natasha Galea » Mon Sep 11, 2006 10:16 pm

1 Replies

5016 Views

Last post by bandy
Sat Sep 16, 2006 7:05 am
ternary alloy slab model

Last post by admin « Wed Sep 13, 2006 10:30 am
Replies: 1
by bandy » Mon Sep 11, 2006 7:31 pm

1 Replies

3655 Views

Last post by admin
Wed Sep 13, 2006 10:30 am
Contribution of each atom to total energy-- is it possible ?

Last post by cpp6f « Fri Sep 08, 2006 1:11 pm
Replies: 1
by soumendu » Fri Sep 08, 2006 5:56 am

1 Replies

3905 Views

Last post by cpp6f
Fri Sep 08, 2006 1:11 pm
supercell problem

Last post by bandy « Thu Sep 07, 2006 6:48 pm
Replies: 1
by medivh » Thu Sep 07, 2006 1:01 pm

1 Replies

3777 Views

Last post by bandy
Thu Sep 07, 2006 6:48 pm
problem using PAW

Last post by pradhan « Thu Sep 07, 2006 7:02 am
Replies: 2
by pradhan » Mon Aug 14, 2006 12:44 pm

2 Replies

3971 Views

Last post by pradhan
Thu Sep 07, 2006 7:02 am
lattice parameter problem

Last post by admin « Wed Sep 06, 2006 10:35 am
Replies: 1
by Jiaye Li » Sat Sep 02, 2006 3:21 am

1 Replies

3086 Views

Last post by admin
Wed Sep 06, 2006 10:35 am
how to obtain accurate result for non-magenetic free atom energy

Last post by admin « Wed Sep 06, 2006 10:25 am
Replies: 2
by TING QIN » Tue Aug 15, 2006 11:10 am

2 Replies

3773 Views

Last post by admin
Wed Sep 06, 2006 10:25 am
hard and soft pseudopotential

Last post by admin « Wed Sep 06, 2006 9:44 am
Replies: 1
by bandy » Thu Aug 24, 2006 9:50 pm

1 Replies

4490 Views

Last post by admin
Wed Sep 06, 2006 9:44 am
NVT MD

Last post by graeme « Fri Sep 01, 2006 5:37 pm
Replies: 3
by acharyachethan » Thu Jun 01, 2006 2:54 pm

3 Replies

9410 Views

Last post by graeme
Fri Sep 01, 2006 5:37 pm
Large DOS calculations

Last post by cpp6f « Fri Aug 25, 2006 2:35 pm
Replies: 3
by elj » Wed Aug 23, 2006 12:22 pm

3 Replies

5111 Views

Last post by cpp6f
Fri Aug 25, 2006 2:35 pm
DOS of cluster

Last post by admin « Thu Aug 24, 2006 2:03 pm
Replies: 1
by jialy_25 » Tue Aug 15, 2006 2:39 am

1 Replies

3757 Views

Last post by admin
Thu Aug 24, 2006 2:03 pm
Saving time with NEB

Last post by graeme « Thu Aug 17, 2006 2:14 pm
Replies: 1
by Tyx » Thu Aug 17, 2006 1:22 pm

1 Replies

2993 Views

Last post by graeme
Thu Aug 17, 2006 2:14 pm
SYMMETRIC SLAB

Last post by grassman « Mon Aug 14, 2006 7:50 pm
Replies: 3
by bandy » Thu Aug 10, 2006 5:48 pm

3 Replies

4453 Views

Last post by grassman
Mon Aug 14, 2006 7:50 pm
Zero Point energy

Last post by tjf « Mon Aug 14, 2006 10:20 am
Replies: 1
by des » Sun Aug 13, 2006 9:11 pm

1 Replies

4180 Views

Last post by tjf
Mon Aug 14, 2006 10:20 am

New Topic

5408 topics

Page 258 of 271
- Jump to page:
Previous
1
…
256
257
258
259
260
…
271
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