Using VASP

Moderators: Global Moderator, Moderator

New Topic

5335 topics

Page 215 of 267
- Jump to page:
Previous
1
…
213
214
215
216
217
…
267
Next

Topics

Replies

Views

Last post

problem in the frequence calculation of free molecule

Last post by physicalattraction « Fri Aug 14, 2009 9:28 am
Replies: 5
by rghomari » Thu Jul 30, 2009 9:19 pm

5 Replies

2694 Views

Last post by physicalattraction
Fri Aug 14, 2009 9:28 am
MAGMOM and GGA+U for Fe adsorption on SiO2 surface Si vancancy?

Last post by boris « Thu Aug 13, 2009 7:28 pm
Replies: 1
by fegg7502 » Thu Aug 13, 2009 3:47 pm

1 Replies

1892 Views

Last post by boris
Thu Aug 13, 2009 7:28 pm
problems on single Cu and H atom calculation

Last post by fegg7502 « Thu Aug 13, 2009 2:58 pm
Replies: 4
by fegg7502 » Mon Aug 03, 2009 12:44 pm

4 Replies

3006 Views

Last post by fegg7502
Thu Aug 13, 2009 2:58 pm
DOS analysis for metalorganic material including metal

Last post by alex « Tue Aug 11, 2009 2:25 pm
Replies: 3
by luke419 » Sat Aug 01, 2009 2:33 am

3 Replies

2347 Views

Last post by alex
Tue Aug 11, 2009 2:25 pm
Vasp utilities

Last post by panda « Tue Aug 04, 2009 4:02 pm
Replies: 3
by rajeshc » Thu Jul 30, 2009 4:46 am

3 Replies

1836 Views

Last post by panda
Tue Aug 04, 2009 4:02 pm
Large SLab from small slab

Last post by panda « Tue Aug 04, 2009 4:10 am
Replies: 1
by rajeshc » Wed Jul 29, 2009 6:28 am

1 Replies

1657 Views

Last post by panda
Tue Aug 04, 2009 4:10 am
How to calculate the excitonic optical properties in vasp?

Last post by irene « Thu Jul 30, 2009 4:52 pm
Replies: 8
by xfh00 » Mon Jul 20, 2009 11:50 pm

8 Replies

3770 Views

Last post by irene
Thu Jul 30, 2009 4:52 pm
How to calculate phonon spectra with VASP

Last post by panda « Thu Jul 30, 2009 4:46 pm
Replies: 3
by linglin » Tue Jul 21, 2009 2:31 am

3 Replies

2332 Views

Last post by panda
Thu Jul 30, 2009 4:46 pm
band structure calculation, error KPOINTS

Last post by panda « Thu Jul 30, 2009 4:36 pm
Replies: 1
by ben1978 » Tue Jul 28, 2009 1:08 pm

1 Replies

3105 Views

Last post by panda
Thu Jul 30, 2009 4:36 pm
Molecular Dynamtic calculation problem

Last post by pkroll « Wed Jul 29, 2009 2:33 pm
Replies: 1
by tsanghsiu » Mon Jul 27, 2009 10:13 pm

1 Replies

1513 Views

Last post by pkroll
Wed Jul 29, 2009 2:33 pm
how are the DOS energies referenced?

Last post by Modey3 « Tue Jul 28, 2009 2:58 pm
Replies: 2
by mhyman » Mon Dec 11, 2006 10:08 pm

2 Replies

2977 Views

Last post by Modey3
Tue Jul 28, 2009 2:58 pm
How to calculate energy associated with each individual atom and bond in a solid?

Last post by panda « Fri Jul 24, 2009 5:45 pm
Replies: 2
by prithwish » Tue Jul 14, 2009 3:34 am

2 Replies

1663 Views

Last post by panda
Fri Jul 24, 2009 5:45 pm
How to calculate Fermi Energy ?

Last post by Modey3 « Wed Jul 22, 2009 7:08 pm
Replies: 2
by phoudha » Thu Jan 11, 2007 9:07 pm

2 Replies

3938 Views

Last post by Modey3
Wed Jul 22, 2009 7:08 pm
PAW Potentials

Last post by ZachTexas « Wed Jul 22, 2009 3:21 pm
Replies: 1
by TAT » Tue Jul 21, 2009 10:27 pm

1 Replies

1576 Views

Last post by ZachTexas
Wed Jul 22, 2009 3:21 pm
why are the Ewald energy negative and decreaseing as pressure increases?

Last post by Modey3 « Mon Jul 20, 2009 4:55 pm
Replies: 4
by pigguo » Sat Mar 08, 2008 5:48 pm

4 Replies

3665 Views

Last post by Modey3
Mon Jul 20, 2009 4:55 pm
Gd-LDA psedopotential

Last post by linglin « Sat Jul 18, 2009 2:56 am
Replies: 2
by linglin » Fri Jul 17, 2009 9:42 am

2 Replies

1327 Views

Last post by linglin
Sat Jul 18, 2009 2:56 am
IALGO for MD calculation

Last post by admin « Fri Jul 17, 2009 1:14 pm
Replies: 1
by okuno » Thu Jul 09, 2009 6:02 am

1 Replies

1758 Views

Last post by admin
Fri Jul 17, 2009 1:14 pm
Ionization energy

Last post by panda « Fri Jul 17, 2009 3:27 am
Replies: 1
by giacomo giorgi » Sat Jul 11, 2009 6:01 am

1 Replies

2373 Views

Last post by panda
Fri Jul 17, 2009 3:27 am
Question on the Total Energy and the Electronic DOS

Last post by Modey3 « Thu Jul 16, 2009 5:56 pm
Replies: 3
by Modey3 » Sun Jul 12, 2009 9:15 pm

3 Replies

2012 Views

Last post by Modey3
Thu Jul 16, 2009 5:56 pm
have problem optimizing nanotubes(convergence....)

Last post by forsdan « Thu Jul 16, 2009 2:35 pm
Replies: 1
by srikanth.pedireddy » Thu Jul 16, 2009 10:36 am

1 Replies

1159 Views

Last post by forsdan
Thu Jul 16, 2009 2:35 pm

New Topic

5335 topics

Page 215 of 267
- Jump to page:
Previous
1
…
213
214
215
216
217
…
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