Using VASP

Moderators: Global Moderator, Moderator

New Topic

5410 topics

Page 235 of 271
- Jump to page:
Previous
1
…
233
234
235
236
237
…
271
Next

Topics

Replies

Views

Last post

Band gap calculation: L(S)DA+U INCAR FILE

Last post by admin « Thu Apr 03, 2008 1:35 pm
Replies: 3
by hyon-jee » Mon Mar 17, 2008 11:01 pm

3 Replies

3206 Views

Last post by admin
Thu Apr 03, 2008 1:35 pm
Question on the setting of NELECT

Last post by admin « Thu Apr 03, 2008 1:25 pm
Replies: 1
by deltz » Tue Apr 01, 2008 4:58 am

1 Replies

1957 Views

Last post by admin
Thu Apr 03, 2008 1:25 pm
Problem on Fe slab (15 layers) calculation

Last post by admin « Mon Mar 31, 2008 11:02 am
Replies: 1
by tak » Fri Mar 28, 2008 5:51 pm

1 Replies

3400 Views

Last post by admin
Mon Mar 31, 2008 11:02 am
HELP NEB doesn't converge

Last post by Nikosnikov « Mon Mar 31, 2008 9:03 am
Replies: 4
by Nikosnikov » Tue Mar 18, 2008 9:33 am

4 Replies

12735 Views

Last post by Nikosnikov
Mon Mar 31, 2008 9:03 am
electron DOS smearing...

Last post by odelaire « Mon Mar 31, 2008 12:38 am
Replies: 3
by odelaire » Tue Mar 04, 2008 12:15 am

3 Replies

4140 Views

Last post by odelaire
Mon Mar 31, 2008 12:38 am
a few more questions on magnetic anisotropy

Last post by decai « Thu Mar 27, 2008 3:48 pm
Replies: 2
by decai » Mon Mar 24, 2008 6:02 pm

2 Replies

4488 Views

Last post by decai
Thu Mar 27, 2008 3:48 pm
Strange increase in the energy after complete relaxation

Last post by admin « Thu Mar 27, 2008 1:18 pm
Replies: 4
by boris » Tue Mar 18, 2008 9:20 am

4 Replies

3431 Views

Last post by admin
Thu Mar 27, 2008 1:18 pm
About relaxation

Last post by admin « Thu Mar 27, 2008 10:52 am
Replies: 1
by zhichengzhong » Tue Mar 25, 2008 9:50 am

1 Replies

1983 Views

Last post by admin
Thu Mar 27, 2008 10:52 am
Number of electrons from Projected DOS

Last post by forsdan « Tue Mar 25, 2008 5:15 pm
Replies: 1
by Masoud » Tue Mar 25, 2008 4:56 pm

1 Replies

2632 Views

Last post by forsdan
Tue Mar 25, 2008 5:15 pm
internal error RAD_CHECK_QPAW: QPAW is incorrect

Last post by asaaravindh « Tue Mar 25, 2008 8:53 am
Replies: 1
by asaaravindh » Tue Mar 25, 2008 6:35 am

1 Replies

1761 Views

Last post by asaaravindh
Tue Mar 25, 2008 8:53 am
geometry minimization

Last post by rudra-b « Mon Mar 24, 2008 8:20 am
Replies: 1
by vasp » Tue Mar 18, 2008 11:18 am

1 Replies

1912 Views

Last post by rudra-b
Mon Mar 24, 2008 8:20 am
how to calculate bandstructure of supercell

Last post by yuxiao_zihan « Wed Mar 19, 2008 9:08 am
Replies: 1
by yuxiao_zihan » Mon Mar 17, 2008 7:45 pm

1 Replies

2247 Views

Last post by yuxiao_zihan
Wed Mar 19, 2008 9:08 am
magnetic anisotropy energy

Last post by decai « Mon Mar 17, 2008 10:36 pm
Replies: 2
by decai » Sat Mar 08, 2008 11:13 pm

2 Replies

3001 Views

Last post by decai
Mon Mar 17, 2008 10:36 pm
ionic convergence criterion

Last post by admin « Fri Mar 14, 2008 4:06 pm
Replies: 1
by rgc » Fri Mar 14, 2008 2:38 pm

1 Replies

2076 Views

Last post by admin
Fri Mar 14, 2008 4:06 pm
LMAXMIX and LDA+U??

Last post by Danny « Thu Mar 13, 2008 11:04 pm
Replies: 3
by Danny » Sun Mar 09, 2008 11:18 pm

3 Replies

4289 Views

Last post by Danny
Thu Mar 13, 2008 11:04 pm
LDAUTYPE=3

Last post by Danny « Tue Mar 11, 2008 12:48 pm
Replies: 1
by Danny » Mon Mar 10, 2008 10:36 pm

1 Replies

3091 Views

Last post by Danny
Tue Mar 11, 2008 12:48 pm
Germanium + Bandgab: LDA+U?

Last post by Danny « Tue Mar 11, 2008 12:36 pm
Replies: 1
by Danny » Tue Feb 26, 2008 2:58 pm

1 Replies

1862 Views

Last post by Danny
Tue Mar 11, 2008 12:36 pm
non-collinear calculation:beginners problem

Last post by rudra-b « Tue Mar 11, 2008 3:14 am
Replies: 1
by rudra-b » Fri Mar 07, 2008 4:46 am

1 Replies

2277 Views

Last post by rudra-b
Tue Mar 11, 2008 3:14 am
How do I know NEB is done and ready to plot the barrier?

Last post by christine1201 « Mon Mar 10, 2008 9:02 pm
Replies: 3
by ashokneb » Fri Feb 01, 2008 4:01 am

3 Replies

3211 Views

Last post by christine1201
Mon Mar 10, 2008 9:02 pm
About ts(transition state) and NEB

Last post by fegg7502 « Fri Mar 07, 2008 12:55 am
Replies: 2
by fegg7502 » Thu Mar 06, 2008 3:20 pm

2 Replies

3819 Views

Last post by fegg7502
Fri Mar 07, 2008 12:55 am

New Topic

5410 topics

Page 235 of 271
- Jump to page:
Previous
1
…
233
234
235
236
237
…
271
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