Using VASP

Moderators: Global Moderator, Moderator

New Topic

5823 topics

Page 243 of 292
- Jump to page:
Previous
1
…
241
242
243
244
245
…
292
Next

Topics

Replies

Views

Last post

Is there anybody who calculated graphite with VASP?

Last post by tracy « Mon Apr 06, 2009 3:43 pm
Replies: 2
by tracy » Wed Apr 01, 2009 9:17 pm

2 Replies

4768 Views

Last post by tracy
Mon Apr 06, 2009 3:43 pm
error: No initial positions read in

Last post by acao « Mon Apr 06, 2009 12:15 pm
Replies: 2
by acao » Mon Apr 06, 2009 4:46 am

2 Replies

7076 Views

Last post by acao
Mon Apr 06, 2009 12:15 pm
Weird occupation numbers

Last post by jlrch « Fri Apr 03, 2009 5:15 pm
Replies: 2
by jlrch » Fri Mar 27, 2009 3:52 pm

2 Replies

4715 Views

Last post by jlrch
Fri Apr 03, 2009 5:15 pm
Spin Polarization & Bond Breaking/Forming

Last post by d-farrell2 « Wed Apr 01, 2009 5:55 pm
Replies: 3
by d-farrell2 » Sat Feb 07, 2009 3:27 pm

3 Replies

7512 Views

Last post by d-farrell2
Wed Apr 01, 2009 5:55 pm
How can I make PROOUT file in vasp 4.6?

Last post by admin « Tue Mar 31, 2009 4:34 pm
Replies: 1
by byhill » Wed Mar 25, 2009 2:56 am

1 Replies

3916 Views

Last post by admin
Tue Mar 31, 2009 4:34 pm
How to set box in POSCAR

Last post by admin « Tue Mar 31, 2009 2:19 pm
Replies: 1
by imsam100 » Fri Mar 27, 2009 11:18 am

1 Replies

4115 Views

Last post by admin
Tue Mar 31, 2009 2:19 pm
T2g-Eg DOS from PROCAR

Last post by admin « Mon Mar 30, 2009 4:05 pm
Replies: 1
by simoneca » Mon Mar 30, 2009 9:46 am

1 Replies

6299 Views

Last post by admin
Mon Mar 30, 2009 4:05 pm
Constant presure MD

Last post by ssim « Mon Mar 30, 2009 7:49 am
Replies: 2
by widom » Mon Nov 28, 2005 8:56 pm

2 Replies

7138 Views

Last post by ssim
Mon Mar 30, 2009 7:49 am
About the stress data in OUTCAR file

Last post by shurab « Sun Mar 29, 2009 4:34 am
Replies: 2
by TING QIN » Thu Jan 12, 2006 10:23 am

2 Replies

8781 Views

Last post by shurab
Sun Mar 29, 2009 4:34 am
force of fixed ion will not go to value of EDIFFG?

Last post by mariesto « Sat Mar 28, 2009 2:58 am
Replies: 2
by mariesto » Sat Mar 21, 2009 12:06 pm

2 Replies

5086 Views

Last post by mariesto
Sat Mar 28, 2009 2:58 am
The error about Ge core-level calculation

Last post by qiangxu « Tue Mar 24, 2009 4:27 pm
Replies: 2
by qiangxu » Fri Mar 20, 2009 5:16 am

2 Replies

4962 Views

Last post by qiangxu
Tue Mar 24, 2009 4:27 pm
still weird band behavior

Last post by giacomo giorgi « Tue Mar 24, 2009 11:46 am
Replies: 2
by giacomo giorgi » Tue Mar 24, 2009 4:46 am

2 Replies

4734 Views

Last post by giacomo giorgi
Tue Mar 24, 2009 11:46 am
How to continue the MD simulation?

Last post by admin « Mon Mar 23, 2009 12:54 pm
Replies: 1
by MDrizzle » Thu Mar 19, 2009 5:04 am

1 Replies

4031 Views

Last post by admin
Mon Mar 23, 2009 12:54 pm
strange band occupation

Last post by admin « Mon Mar 23, 2009 10:21 am
Replies: 3
by giacomo giorgi » Thu Mar 19, 2009 11:55 am

3 Replies

5122 Views

Last post by admin
Mon Mar 23, 2009 10:21 am
about the DOSCAR

Last post by admin « Wed Mar 18, 2009 9:23 am
Replies: 1
by linglin » Wed Mar 18, 2009 12:50 am

1 Replies

3531 Views

Last post by admin
Wed Mar 18, 2009 9:23 am
bands 4.6 NPAR=1 VS. 4.5.8 NPAR > 1

Last post by admin « Tue Mar 17, 2009 1:53 pm
Replies: 1
by giacomo giorgi » Tue Mar 17, 2009 8:58 am

1 Replies

4693 Views

Last post by admin
Tue Mar 17, 2009 1:53 pm
Constant temp MD

Last post by vasp « Mon Mar 16, 2009 2:05 am
Replies: 2
by vasp » Mon Mar 09, 2009 5:12 pm

2 Replies

5026 Views

Last post by vasp
Mon Mar 16, 2009 2:05 am
Fixed spin moment of each atom

Last post by admin « Tue Mar 10, 2009 1:25 pm
Replies: 1
by chamn » Sat Feb 21, 2009 3:03 am

1 Replies

5514 Views

Last post by admin
Tue Mar 10, 2009 1:25 pm
MD run

Last post by admin « Tue Mar 10, 2009 1:19 pm
Replies: 1
by TAT » Sun Feb 22, 2009 2:59 am

1 Replies

4755 Views

Last post by admin
Tue Mar 10, 2009 1:19 pm
MD(molecular dynamics

Last post by admin « Tue Mar 10, 2009 1:12 pm
Replies: 1
by ssaicoda » Tue Mar 10, 2009 2:08 am

1 Replies

5004 Views

Last post by admin
Tue Mar 10, 2009 1:12 pm

New Topic

5823 topics

Page 243 of 292
- Jump to page:
Previous
1
…
241
242
243
244
245
…
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