Using VASP

Moderators: Global Moderator, Moderator

New Topic

5900 topics

Page 200 of 295
- Jump to page:
Previous
1
…
198
199
200
201
202
…
295
Next

Topics

Replies

Views

Last post

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

4493 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

2951 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

2616 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

3632 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

3060 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

2499 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

2883 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

3119 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

3817 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

4576 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

2982 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

2517 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

5281 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

3195 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

4139 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

4971 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

3389 Views

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

Last post by apple « Sun Jul 01, 2012 4:35 am
Replies: 3
by apple » Tue Jun 05, 2012 6:10 am

3 Replies

5230 Views

Last post by apple
Sun Jul 01, 2012 4:35 am
Why DFT can calculate states above fermi level?

Last post by Neutrino « Fri Jun 29, 2012 10:55 pm
Replies: 4
by JohnnyTsien » Fri Apr 06, 2012 9:43 pm

4 Replies

7647 Views

Last post by Neutrino
Fri Jun 29, 2012 10:55 pm
Partial Charge density

Last post by poorvasingh « Fri Jun 29, 2012 9:35 am
Replies: 2
by poorvasingh » Thu Jun 28, 2012 1:29 pm

2 Replies

4152 Views

Last post by poorvasingh
Fri Jun 29, 2012 9:35 am

New Topic

5900 topics

Page 200 of 295
- Jump to page:
Previous
1
…
198
199
200
201
202
…
295
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