Using VASP

Moderators: Global Moderator, Moderator

New Topic

5335 topics

Page 214 of 267
- Jump to page:
Previous
1
…
212
213
214
215
216
…
267
Next

Topics

Replies

Views

Last post

How to calculate the binding energy of gas with odd electron (NO2) on graphene?

Last post by alex « Fri Sep 18, 2009 7:28 am
Replies: 9
by dinhloc1984 » Sat Sep 12, 2009 1:18 am

9 Replies

6314 Views

Last post by alex
Fri Sep 18, 2009 7:28 am
About the potentials of the pseudo-Hydrogen atoms!

Last post by crajesh « Fri Sep 18, 2009 5:17 am
Replies: 1
by cbFeng200881 » Thu Sep 17, 2009 5:18 am

1 Replies

2028 Views

Last post by crajesh
Fri Sep 18, 2009 5:17 am
Excited State in abinitio MD

Last post by aron « Wed Sep 16, 2009 3:58 pm
Replies: 1
by prithwish » Thu Sep 03, 2009 11:34 am

1 Replies

2186 Views

Last post by aron
Wed Sep 16, 2009 3:58 pm
VASP 5.2

Last post by xfh00 « Wed Sep 16, 2009 7:01 am
Replies: 1
by panda » Mon Jul 27, 2009 4:29 am

1 Replies

1447 Views

Last post by xfh00
Wed Sep 16, 2009 7:01 am
how to calculate electronic occupation of certain orbital in VASP?

Last post by boris « Mon Sep 14, 2009 4:30 pm
Replies: 6
by linglin » Mon Aug 31, 2009 5:32 am

6 Replies

5478 Views

Last post by boris
Mon Sep 14, 2009 4:30 pm
Contents of DOSCAR in noncollinear calculation?

Last post by bmeredig « Mon Sep 14, 2009 2:57 am
Replies: 2
by bmeredig » Fri Sep 11, 2009 9:57 pm

2 Replies

2317 Views

Last post by bmeredig
Mon Sep 14, 2009 2:57 am
VASP 5.2 band structure calculation error!!

Last post by panda « Sat Sep 12, 2009 11:54 pm
Replies: 3
by wcwang » Fri Sep 04, 2009 9:19 pm

3 Replies

2580 Views

Last post by panda
Sat Sep 12, 2009 11:54 pm
NEB convergence

Last post by alex « Thu Sep 10, 2009 8:06 am
Replies: 2
by mukul » Wed Aug 26, 2009 6:16 pm

2 Replies

2238 Views

Last post by alex
Thu Sep 10, 2009 8:06 am
Is it possible to obtain ion's charge state in VASP?

Last post by panda « Tue Sep 08, 2009 3:06 am
Replies: 5
by blazing » Wed Jul 01, 2009 10:48 am

5 Replies

2928 Views

Last post by panda
Tue Sep 08, 2009 3:06 am
How to solve the problem which is caused by inputing too many datas in many lines?

Last post by chenhw « Sun Sep 06, 2009 10:33 am
Replies: 2
by chenhw » Thu Sep 03, 2009 9:04 am

2 Replies

1758 Views

Last post by chenhw
Sun Sep 06, 2009 10:33 am
Updating wavefunctions in self-consistent GW

Last post by irene « Tue Sep 01, 2009 8:45 am
Replies: 1
by irene » Thu Jul 23, 2009 4:11 pm

1 Replies

2155 Views

Last post by irene
Tue Sep 01, 2009 8:45 am
questions on parametes in DOS analysis

Last post by panda « Mon Aug 31, 2009 7:39 pm
Replies: 2
by luke419 » Sun Aug 09, 2009 2:04 pm

2 Replies

1736 Views

Last post by panda
Mon Aug 31, 2009 7:39 pm
why incoherent DOS?

Last post by alex « Mon Aug 31, 2009 9:02 am
Replies: 3
by linglin » Sun Aug 30, 2009 8:26 am

3 Replies

2054 Views

Last post by alex
Mon Aug 31, 2009 9:02 am
Electric field and HOMO-LUMO gap questions....help

Last post by ccmin4 « Mon Aug 31, 2009 6:39 am
Replies: 4
by bendix » Fri Apr 25, 2008 6:32 am

4 Replies

4182 Views

Last post by ccmin4
Mon Aug 31, 2009 6:39 am
question about the output

Last post by panda « Thu Aug 27, 2009 12:40 pm
Replies: 1
by Jeffreyfox » Mon Aug 17, 2009 10:34 pm

1 Replies

1179 Views

Last post by panda
Thu Aug 27, 2009 12:40 pm
Can vasp do the calculation with the system is not neutrality?

Last post by panda « Wed Aug 26, 2009 9:43 pm
Replies: 1
by nuthaha » Mon Aug 24, 2009 9:02 am

1 Replies

1378 Views

Last post by panda
Wed Aug 26, 2009 9:43 pm
question about simulated annealing

Last post by wenxuan « Tue Aug 25, 2009 12:44 am
Replies: 3
by wenxuan » Thu Aug 20, 2009 8:59 am

3 Replies

2701 Views

Last post by wenxuan
Tue Aug 25, 2009 12:44 am
Columns of DOSCAR file

Last post by blazing « Thu Aug 20, 2009 5:05 am
Replies: 5
by blazing » Mon Aug 10, 2009 10:55 am

5 Replies

6317 Views

Last post by blazing
Thu Aug 20, 2009 5:05 am
physical meaning of ISMEAR and SIGMA

Last post by forsdan « Sun Aug 16, 2009 9:39 am
Replies: 1
by luke419 » Sun Aug 16, 2009 3:37 am

1 Replies

3560 Views

Last post by forsdan
Sun Aug 16, 2009 9:39 am
Force accuracy

Last post by pkroll « Fri Aug 14, 2009 7:12 pm
Replies: 3
by dcurulla » Mon Jul 13, 2009 9:24 am

3 Replies

4046 Views

Last post by pkroll
Fri Aug 14, 2009 7:12 pm

New Topic

5335 topics

Page 214 of 267
- Jump to page:
Previous
1
…
212
213
214
215
216
…
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