Using VASP

Moderators: Global Moderator, Moderator

New Topic

5324 topics

Page 171 of 267
- Jump to page:
Previous
1
…
169
170
171
172
173
…
267
Next

Topics

Replies

Views

Last post

Why is the DOS of uranium dioxide I calculated in metallic state?

Last post by rex881026 « Wed Jul 18, 2012 10:16 am
Replies: 3
by lanjh » Mon Apr 09, 2012 3:24 am

3 Replies

2096 Views

Last post by rex881026
Wed Jul 18, 2012 10:16 am
Positive total energy

Last post by alex « Tue Jul 17, 2012 1:03 pm
Replies: 1
by againsmile » Tue Jul 17, 2012 10:34 am

1 Replies

1069 Views

Last post by alex
Tue Jul 17, 2012 1:03 pm
How do i calculated PDOS

Last post by admin « Mon Jul 16, 2012 10:45 am
Replies: 1
by naresh124 » Sat Jul 14, 2012 8:49 pm

1 Replies

1612 Views

Last post by admin
Mon Jul 16, 2012 10:45 am
DFPT method in VASP

Last post by admin « Fri Jul 13, 2012 12:41 pm
Replies: 1
by yjzhou » Sun Jun 10, 2012 9:20 pm

1 Replies

2722 Views

Last post by admin
Fri Jul 13, 2012 12:41 pm
cell optimization with vdW-DF functional

Last post by kelum « Thu Jul 12, 2012 11:14 am
Replies: 1
by tibeten » Thu Jul 12, 2012 12:19 am

1 Replies

1338 Views

Last post by kelum
Thu Jul 12, 2012 11:14 am
Metastable structures in NEB

Last post by admin « Wed Jul 11, 2012 4:57 pm
Replies: 1
by kambiz » Thu Jun 07, 2012 1:48 am

1 Replies

1057 Views

Last post by admin
Wed Jul 11, 2012 4:57 pm
After relaxation NEB images are same as initial or final image

Last post by admin « Wed Jul 11, 2012 4:46 pm
Replies: 1
by magnon963 » Sat Jun 16, 2012 9:57 am

1 Replies

1947 Views

Last post by admin
Wed Jul 11, 2012 4:46 pm
In NEB calculation K-point sampling

Last post by admin « Wed Jul 11, 2012 4:43 pm
Replies: 1
by magnon963 » Sat Jun 16, 2012 10:03 am

1 Replies

1215 Views

Last post by admin
Wed Jul 11, 2012 4:43 pm
how to set the codes on parallel

Last post by admin « Wed Jul 11, 2012 4:41 pm
Replies: 1
by gechaoyi » Tue Jun 19, 2012 10:40 am

1 Replies

882 Views

Last post by admin
Wed Jul 11, 2012 4:41 pm
Flexible boundary condition VS Periodic boundary condition?

Last post by admin « Wed Jul 11, 2012 4:36 pm
Replies: 1
by dyc_2008 » Wed Jun 27, 2012 10:16 am

1 Replies

1159 Views

Last post by admin
Wed Jul 11, 2012 4:36 pm
POSCAR File - Primitive vectors

Last post by admin « Wed Jul 11, 2012 3:17 pm
Replies: 1
by egkog » Wed Jul 04, 2012 10:06 pm

1 Replies

1265 Views

Last post by admin
Wed Jul 11, 2012 3:17 pm
adsorbed atoms moving into the slab

Last post by alex « Tue Jul 10, 2012 9:19 am
Replies: 3
by sigi14 » Thu Jul 05, 2012 10:58 pm

3 Replies

1255 Views

Last post by alex
Tue Jul 10, 2012 9:19 am
Different in ground state energy (E0) from spin and non-spin polarized

Last post by PRKN « Tue Jul 10, 2012 6:03 am
Replies: 3
by PRKN » Fri Jul 06, 2012 7:32 am

3 Replies

2201 Views

Last post by PRKN
Tue Jul 10, 2012 6:03 am
Problem in Al alloy calculations by PAW GGA (Help me plz.)

Last post by powertong « Mon Jul 09, 2012 12:12 pm
Replies: 2
by powertong » Mon Jul 09, 2012 9:50 am

2 Replies

1099 Views

Last post by powertong
Mon Jul 09, 2012 12:12 pm
uspp-gga-pbe

Last post by yanfei « Mon Jul 09, 2012 3:55 am
Replies: 1
by yanfei » Sun Jul 08, 2012 3:21 pm

1 Replies

1042 Views

Last post by yanfei
Mon Jul 09, 2012 3:55 am
tight binding in VASP

Last post by vistawanted « Sun Jul 08, 2012 5:41 pm
Replies: 2
by Juan Pedro » Mon Jun 25, 2012 6:48 pm

2 Replies

2723 Views

Last post by vistawanted
Sun Jul 08, 2012 5:41 pm
DOS

Last post by apple « Fri Jul 06, 2012 11:07 pm
Replies: 2
by apple » Thu Jul 05, 2012 8:25 pm

2 Replies

1251 Views

Last post by apple
Fri Jul 06, 2012 11:07 pm
N atom

Last post by apple « Thu Jul 05, 2012 6:02 pm
Replies: 4
by apple » Tue Jul 03, 2012 7:05 pm

4 Replies

1530 Views

Last post by apple
Thu Jul 05, 2012 6:02 pm
convergence problem

Last post by apple « Tue Jul 03, 2012 6:59 pm
Replies: 2
by apple » Sun Jul 01, 2012 4:42 am

2 Replies

1976 Views

Last post by apple
Tue Jul 03, 2012 6:59 pm
LOPTICS and ALGO=CHI for metals

Last post by Vahid Askarpour « Mon Jul 02, 2012 2:44 pm
Replies: 1
by Vahid Askarpour » Wed Jun 13, 2012 2:27 pm

1 Replies

1546 Views

Last post by Vahid Askarpour
Mon Jul 02, 2012 2:44 pm

New Topic

5324 topics

Page 171 of 267
- Jump to page:
Previous
1
…
169
170
171
172
173
…
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