Using VASP

Moderators: Global Moderator, Moderator

New Topic

5883 topics

Page 239 of 295
- Jump to page:
Previous
1
…
237
238
239
240
241
…
295
Next

Topics

Replies

Views

Last post

how to calculate the optics using vasp5.2

Last post by tigeryzz « Tue Nov 17, 2009 7:39 am
Replies: 1
by tigeryzz » Mon Nov 16, 2009 1:47 am

1 Replies

3356 Views

Last post by tigeryzz
Tue Nov 17, 2009 7:39 am
Band Structure Calculations in HF

Last post by kally « Mon Nov 16, 2009 6:04 am
Replies: 7
by tommy91779 » Fri Sep 18, 2009 10:03 am

7 Replies

17050 Views

Last post by kally
Mon Nov 16, 2009 6:04 am
GGA + U and mag. mom.

Last post by magal « Fri Nov 13, 2009 12:16 pm
Replies: 6
by amoitra » Sat Jun 28, 2008 6:08 am

6 Replies

11374 Views

Last post by magal
Fri Nov 13, 2009 12:16 pm
Cu(111) surface energy

Last post by panda « Thu Nov 12, 2009 10:18 pm
Replies: 4
by physicalattraction » Tue Nov 10, 2009 1:49 pm

4 Replies

8300 Views

Last post by panda
Thu Nov 12, 2009 10:18 pm
How to deal with this problem of the 'magmom'

Last post by forsdan « Thu Nov 12, 2009 8:19 pm
Replies: 1
by VASP001 » Thu Nov 12, 2009 5:23 pm

1 Replies

4567 Views

Last post by forsdan
Thu Nov 12, 2009 8:19 pm
HSE06 and B3LYP calcualtions in VASP 5.*

Last post by chemcomp « Thu Nov 12, 2009 6:31 pm
Replies: 6
by lyzhu » Fri Oct 23, 2009 9:10 pm

6 Replies

14202 Views

Last post by chemcomp
Thu Nov 12, 2009 6:31 pm
How to estimate Curie temperature by VASP?

Last post by spakinfo « Thu Nov 12, 2009 8:55 am
Replies: 2
by spakinfo » Wed Nov 11, 2009 6:52 am

2 Replies

6142 Views

Last post by spakinfo
Thu Nov 12, 2009 8:55 am
Visualize a part of Charge Density

Last post by okuno « Thu Nov 12, 2009 1:26 am
Replies: 3
by okuno » Wed Sep 16, 2009 6:44 am

3 Replies

5371 Views

Last post by okuno
Thu Nov 12, 2009 1:26 am
single point calculation and band structure, HELP!!!

Last post by panda « Wed Nov 11, 2009 6:15 pm
Replies: 1
by panda » Wed Nov 11, 2009 2:17 am

1 Replies

3315 Views

Last post by panda
Wed Nov 11, 2009 6:15 pm
Maximally Localized Wannier functions

Last post by panda « Wed Nov 11, 2009 2:11 am
Replies: 3
by jonbjo » Thu Apr 17, 2008 8:25 am

3 Replies

6325 Views

Last post by panda
Wed Nov 11, 2009 2:11 am
How to get molecular orbitals (eigenvectors)?

Last post by tlchan « Tue Nov 10, 2009 3:15 pm
Replies: 2
by asija » Mon Nov 09, 2009 9:56 am

2 Replies

4317 Views

Last post by tlchan
Tue Nov 10, 2009 3:15 pm
about transition state and frequence

Last post by camilo « Tue Nov 10, 2009 1:09 am
Replies: 3
by fegg7502 » Tue Apr 29, 2008 8:01 am

3 Replies

5059 Views

Last post by camilo
Tue Nov 10, 2009 1:09 am
How TO use B3LYP to compute bandstructrue?

Last post by panda « Mon Nov 09, 2009 4:15 pm
Replies: 2
by deltz » Tue Nov 03, 2009 8:02 pm

2 Replies

4917 Views

Last post by panda
Mon Nov 09, 2009 4:15 pm
Unoccupied states

Last post by asija « Mon Nov 09, 2009 10:06 am
Replies: 3
by asija » Mon Oct 19, 2009 12:12 pm

3 Replies

5990 Views

Last post by asija
Mon Nov 09, 2009 10:06 am
equivalent positions and partial DOS

Last post by panda « Mon Nov 09, 2009 5:12 am
Replies: 2
by panda » Fri Sep 11, 2009 3:45 pm

2 Replies

3951 Views

Last post by panda
Mon Nov 09, 2009 5:12 am
Why 3d xz and yz DOS are not equal?

Last post by panda « Mon Nov 09, 2009 5:09 am
Replies: 5
by blazing » Thu Aug 13, 2009 3:47 pm

5 Replies

6125 Views

Last post by panda
Mon Nov 09, 2009 5:09 am
Trying to calculate the band structure of nanotubes

Last post by lyon0100 « Mon Nov 09, 2009 12:39 am
Replies: 2
by lyon0100 » Sat Oct 31, 2009 3:34 pm

2 Replies

5152 Views

Last post by lyon0100
Mon Nov 09, 2009 12:39 am
STRANGE OCCUPATION BANDS FOR GW0 CALCULATIONS

Last post by giacomo giorgi « Thu Nov 05, 2009 6:30 am
Replies: 3
by giacomo giorgi » Thu Oct 29, 2009 6:39 am

3 Replies

5238 Views

Last post by giacomo giorgi
Thu Nov 05, 2009 6:30 am
why no stdout write out for 01 during NEB?

Last post by graeme « Wed Nov 04, 2009 3:36 pm
Replies: 4
by Tiger-paw » Tue Nov 03, 2009 7:11 am

4 Replies

5299 Views

Last post by graeme
Wed Nov 04, 2009 3:36 pm
Fermi energy in the Band structure calculation

Last post by admin « Tue Nov 03, 2009 4:23 pm
Replies: 1
by zhichengzhong » Mon Nov 02, 2009 3:05 pm

1 Replies

3792 Views

Last post by admin
Tue Nov 03, 2009 4:23 pm

New Topic

5883 topics

Page 239 of 295
- Jump to page:
Previous
1
…
237
238
239
240
241
…
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