Using VASP

Moderators: Global Moderator, Moderator

New Topic

5900 topics

Page 244 of 295
- Jump to page:
Previous
1
…
242
243
244
245
246
…
295
Next

Topics

Replies

Views

Last post

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

4145 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

4308 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

4913 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

5175 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

3526 Views

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

Last post by zhu « Thu Jul 16, 2009 10:10 am
Replies: 2
by zhu » Tue Jul 14, 2009 12:37 am

2 Replies

4690 Views

Last post by zhu
Thu Jul 16, 2009 10:10 am
How to fix a space group for a given supercell ?

Last post by centauris « Sat Jul 11, 2009 6:06 pm
Replies: 3
by ypipon » Fri Jun 12, 2009 10:49 am

3 Replies

6527 Views

Last post by centauris
Sat Jul 11, 2009 6:06 pm
SOC

Last post by forsdan « Fri Jul 10, 2009 7:30 pm
Replies: 2
by linglin » Fri Jul 10, 2009 11:01 am

2 Replies

4353 Views

Last post by forsdan
Fri Jul 10, 2009 7:30 pm
constraining in magnetic moments

Last post by eltonjose « Fri Jul 10, 2009 10:13 am
Replies: 4
by eltonjose » Thu Jul 09, 2009 11:44 am

4 Replies

8231 Views

Last post by eltonjose
Fri Jul 10, 2009 10:13 am
about dielectric function

Last post by linglin « Wed Jul 08, 2009 2:18 am
Replies: 7
by linglin » Thu Jun 18, 2009 10:08 am

7 Replies

7573 Views

Last post by linglin
Wed Jul 08, 2009 2:18 am
LDA of formation energy

Last post by forsdan « Tue Jul 07, 2009 8:23 pm
Replies: 1
by sutatch » Tue Jul 07, 2009 3:32 pm

1 Replies

3705 Views

Last post by forsdan
Tue Jul 07, 2009 8:23 pm
symmetry and geometry optimization

Last post by panda « Tue Jul 07, 2009 5:00 am
Replies: 2
by panda » Tue May 26, 2009 9:05 pm

2 Replies

6255 Views

Last post by panda
Tue Jul 07, 2009 5:00 am
Fermi energy in 1D & 3D

Last post by panda « Tue Jul 07, 2009 4:44 am
Replies: 1
by leonardo » Mon Jun 22, 2009 9:32 am

1 Replies

4107 Views

Last post by panda
Tue Jul 07, 2009 4:44 am
Revised PBE potentials

Last post by ran « Tue Jun 30, 2009 3:05 pm
Replies: 1
by Andreas » Wed Jun 17, 2009 3:35 pm

1 Replies

3919 Views

Last post by ran
Tue Jun 30, 2009 3:05 pm
Charged systems - deprotonation energy calculation in zeolites

Last post by lux « Thu Jun 25, 2009 9:21 am
Replies: 1
by lux » Wed Jun 17, 2009 1:00 pm

1 Replies

5852 Views

Last post by lux
Thu Jun 25, 2009 9:21 am
Calculating vibrational frequencies of a charged defect

Last post by alex « Fri Jun 19, 2009 12:29 pm
Replies: 1
by John Buckeridge » Thu Jun 18, 2009 10:24 am

1 Replies

3986 Views

Last post by alex
Fri Jun 19, 2009 12:29 pm
Calculating migration energy using NEB

Last post by tsemi « Thu Jun 18, 2009 2:03 pm
Replies: 4
by Mahesh_chandran » Mon May 29, 2006 10:22 am

4 Replies

7635 Views

Last post by tsemi
Thu Jun 18, 2009 2:03 pm
help on Berry phase calculation

Last post by yingma « Sun Jun 14, 2009 1:57 pm
Replies: 2
by yingma » Sun Jun 14, 2009 7:52 am

2 Replies

4539 Views

Last post by yingma
Sun Jun 14, 2009 1:57 pm
Cohesion energy calculation of Cr23C6

Last post by tracy « Fri Jun 12, 2009 7:49 pm
Replies: 4
by tracy » Tue Jun 09, 2009 9:43 pm

4 Replies

8800 Views

Last post by tracy
Fri Jun 12, 2009 7:49 pm
How to add an electronic field in vasp calculations

Last post by haiping « Thu Jun 11, 2009 10:16 am
Replies: 2
by haiping » Wed Jun 10, 2009 10:32 am

2 Replies

4446 Views

Last post by haiping
Thu Jun 11, 2009 10:16 am

New Topic

5900 topics

Page 244 of 295
- Jump to page:
Previous
1
…
242
243
244
245
246
…
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