Using VASP

Moderators: Global Moderator, Moderator

New Topic

5335 topics

Page 212 of 267
- Jump to page:
Previous
1
…
210
211
212
213
214
…
267
Next

Topics

Replies

Views

Last post

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

1330 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

3266 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

1991 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

2068 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

2387 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

2829 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

1596 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

2614 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

2376 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

2385 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

1866 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

1528 Views

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

Last post by admin « Tue Nov 03, 2009 4:16 pm
Replies: 1
by blazing » Tue Nov 03, 2009 2:16 pm

1 Replies

1351 Views

Last post by admin
Tue Nov 03, 2009 4:16 pm
Uranium ground state configuration

Last post by alberto.trj « Tue Nov 03, 2009 12:28 pm
Replies: 3
by ron » Thu Oct 29, 2009 11:37 am

3 Replies

2319 Views

Last post by alberto.trj
Tue Nov 03, 2009 12:28 pm
NEB calculation always stop at the first step

Last post by Tiger-paw « Mon Nov 02, 2009 1:46 am
Replies: 1
by Tiger-paw » Fri Oct 30, 2009 4:49 am

1 Replies

1110 Views

Last post by Tiger-paw
Mon Nov 02, 2009 1:46 am
vasp gives positive Fermi energy and eigenvalues for ZnO (wurtzeit structrue).

Last post by Modey3 « Fri Oct 30, 2009 7:22 pm
Replies: 4
by cyc99 » Sun Sep 13, 2009 7:39 pm

4 Replies

4119 Views

Last post by Modey3
Fri Oct 30, 2009 7:22 pm
Extracting wave functions

Last post by Modey3 « Fri Oct 30, 2009 6:59 pm
Replies: 3
by nvmedhekar » Tue Aug 25, 2009 3:42 pm

3 Replies

1854 Views

Last post by Modey3
Fri Oct 30, 2009 6:59 pm
about vaccum level

Last post by tlchan « Wed Oct 28, 2009 9:47 pm
Replies: 1
by fegg7502 » Tue Oct 27, 2009 2:02 pm

1 Replies

945 Views

Last post by tlchan
Wed Oct 28, 2009 9:47 pm
How to retrieve structure files during relaxation?

Last post by VASP001 « Tue Oct 27, 2009 5:20 pm
Replies: 4
by lmiao » Fri Oct 21, 2005 3:11 pm

4 Replies

3391 Views

Last post by VASP001
Tue Oct 27, 2009 5:20 pm
Question regarding MD: ENCUT & SMASS

Last post by VASP001 « Tue Oct 27, 2009 4:45 pm
Replies: 2
by simha » Tue Aug 18, 2009 12:27 pm

2 Replies

3211 Views

Last post by VASP001
Tue Oct 27, 2009 4:45 pm

New Topic

5335 topics

Page 212 of 267
- Jump to page:
Previous
1
…
210
211
212
213
214
…
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