Using VASP

Moderators: Global Moderator, Moderator

New Topic

5823 topics

Page 244 of 292
- Jump to page:
Previous
1
…
242
243
244
245
246
…
292
Next

Topics

Replies

Views

Last post

error in IBZKPT

Last post by admin « Tue Mar 10, 2009 12:33 pm
Replies: 1
by TAT » Tue Mar 10, 2009 3:25 am

1 Replies

9467 Views

Last post by admin
Tue Mar 10, 2009 12:33 pm
How to get force constant matirx?

Last post by xfh00 « Thu Mar 05, 2009 7:44 am
Replies: 2
by xfh00 » Wed Mar 04, 2009 1:41 am

2 Replies

5069 Views

Last post by xfh00
Thu Mar 05, 2009 7:44 am
concerning POSCAR file of organic crystal

Last post by forsdan « Wed Mar 04, 2009 9:47 am
Replies: 1
by kjt0314 » Wed Mar 04, 2009 8:22 am

1 Replies

4609 Views

Last post by forsdan
Wed Mar 04, 2009 9:47 am
Berry phase calculations

Last post by admin « Mon Mar 02, 2009 12:51 pm
Replies: 1
by mf081 » Sat Feb 28, 2009 4:07 pm

1 Replies

3877 Views

Last post by admin
Mon Mar 02, 2009 12:51 pm
Valence electronic strucure screening the core hole

Last post by admin « Mon Mar 02, 2009 12:35 pm
Replies: 1
by Burns » Fri Feb 27, 2009 10:23 am

1 Replies

3796 Views

Last post by admin
Mon Mar 02, 2009 12:35 pm
interaction of one charged and one neutral molecule

Last post by admin « Mon Mar 02, 2009 12:11 pm
Replies: 1
by edurgun » Sun Mar 01, 2009 8:09 pm

1 Replies

3872 Views

Last post by admin
Mon Mar 02, 2009 12:11 pm
bcc structure

Last post by admin « Mon Mar 02, 2009 10:16 am
Replies: 1
by utpalsarkar » Fri Nov 07, 2008 3:17 pm

1 Replies

6861 Views

Last post by admin
Mon Mar 02, 2009 10:16 am
NEB problem: the intermediate points become totally disordered

Last post by admin « Thu Feb 26, 2009 10:12 am
Replies: 4
by Jiaye Li » Tue Feb 24, 2009 1:45 am

4 Replies

6992 Views

Last post by admin
Thu Feb 26, 2009 10:12 am
Calculation and Visualization of the spatial charge density for HOMO

Last post by physicalattraction « Wed Feb 25, 2009 4:23 pm
Replies: 2
by byhill » Mon Feb 23, 2009 10:24 am

2 Replies

5263 Views

Last post by physicalattraction
Wed Feb 25, 2009 4:23 pm
STM image plotting

Last post by admin « Fri Feb 20, 2009 3:31 pm
Replies: 1
by Luniakov » Fri Feb 20, 2009 5:11 am

1 Replies

3699 Views

Last post by admin
Fri Feb 20, 2009 3:31 pm
The number of valence electrons for rare earth in PBE.

Last post by wangfei « Thu Feb 19, 2009 6:01 pm
Replies: 2
by wangfei » Mon Feb 16, 2009 8:13 pm

2 Replies

4245 Views

Last post by wangfei
Thu Feb 19, 2009 6:01 pm
Rare earth

Last post by wangfei « Thu Feb 19, 2009 5:39 pm
Replies: 4
by Kitaura » Fri Jan 02, 2009 6:07 am

4 Replies

5862 Views

Last post by wangfei
Thu Feb 19, 2009 5:39 pm
check on the force convergence during geometric optimization

Last post by Hayley « Thu Feb 19, 2009 4:22 am
Replies: 1
by luke419 » Thu Feb 19, 2009 2:59 am

1 Replies

3973 Views

Last post by Hayley
Thu Feb 19, 2009 4:22 am
Cell volume

Last post by home79 « Thu Feb 19, 2009 3:27 am
Replies: 5
by rghomari » Fri Jul 18, 2008 4:44 am

5 Replies

10285 Views

Last post by home79
Thu Feb 19, 2009 3:27 am
How to start NEB job on quad-core processor

Last post by Jiaye Li « Thu Feb 19, 2009 2:14 am
Replies: 4
by Jiaye Li » Mon Feb 16, 2009 3:40 am

4 Replies

6080 Views

Last post by Jiaye Li
Thu Feb 19, 2009 2:14 am
core level shift calculation

Last post by admin « Wed Feb 18, 2009 1:27 pm
Replies: 3
by yuxiao_zihan » Mon Feb 16, 2009 12:25 pm

3 Replies

5657 Views

Last post by admin
Wed Feb 18, 2009 1:27 pm
Band structure for adsorbates on a slab

Last post by yuxiao_zihan « Wed Feb 18, 2009 12:16 pm
Replies: 3
by pop6orn » Mon Aug 11, 2008 3:49 am

3 Replies

5364 Views

Last post by yuxiao_zihan
Wed Feb 18, 2009 12:16 pm
Ferromagnetic and Antiferromagnetic calculations

Last post by forsdan « Wed Feb 18, 2009 6:30 am
Replies: 1
by goja25 » Tue Feb 17, 2009 3:19 pm

1 Replies

6956 Views

Last post by forsdan
Wed Feb 18, 2009 6:30 am
values in LOCPOT file

Last post by yuxiao_zihan « Tue Feb 17, 2009 2:38 pm
Replies: 3
by rgc » Mon Feb 16, 2009 3:26 pm

3 Replies

7214 Views

Last post by yuxiao_zihan
Tue Feb 17, 2009 2:38 pm
About data in PARCHG file

Last post by admin « Tue Feb 17, 2009 12:24 pm
Replies: 1
by opvu » Tue Feb 17, 2009 6:54 am

1 Replies

4579 Views

Last post by admin
Tue Feb 17, 2009 12:24 pm

New Topic

5823 topics

Page 244 of 292
- Jump to page:
Previous
1
…
242
243
244
245
246
…
292
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