Using VASP

Moderators: Global Moderator, Moderator

New Topic

5418 topics

Page 175 of 271
- Jump to page:
Previous
1
…
173
174
175
176
177
…
271
Next

Topics

Replies

Views

Last post

How to create a slab?

Last post by jber « Wed Aug 01, 2012 2:33 pm
Replies: 3
by uceetam » Mon Jun 11, 2012 6:39 pm

3 Replies

2617 Views

Last post by jber
Wed Aug 01, 2012 2:33 pm
Modified Becke-Johnson functional (MBJ)

Last post by amirnatan « Tue Jul 31, 2012 3:30 pm
Replies: 2
by amirnatan » Wed Jul 18, 2012 3:45 pm

2 Replies

1695 Views

Last post by amirnatan
Tue Jul 31, 2012 3:30 pm
magnetization (x) is not written

Last post by admin « Mon Jul 30, 2012 3:39 pm
Replies: 1
by zsoltrak » Wed Jul 25, 2012 9:24 pm

1 Replies

1399 Views

Last post by admin
Mon Jul 30, 2012 3:39 pm
THe difference of neutral atom, atom, and ion

Last post by AndyMao « Wed Jul 25, 2012 4:14 pm
Replies: 2
by AndyMao » Wed Jul 25, 2012 7:12 am

2 Replies

3198 Views

Last post by AndyMao
Wed Jul 25, 2012 4:14 pm
Influence of PBE pseudopotential on hybrid functional calculation

Last post by kzhuo3 « Wed Jul 25, 2012 4:23 am
Replies: 2
by kky8822 » Wed Jul 18, 2012 12:34 pm

2 Replies

1625 Views

Last post by kzhuo3
Wed Jul 25, 2012 4:23 am
VASP 5.2: Does the pressure in MD include ionic kinectic pressure (NkT/V)?

Last post by Vahid Askarpour « Tue Jul 24, 2012 1:53 am
Replies: 1
by hnam9 » Mon Jul 23, 2012 10:23 pm

1 Replies

2143 Views

Last post by Vahid Askarpour
Tue Jul 24, 2012 1:53 am
average electrostatic potential at each ion with LVTOT/LVHAR

Last post by kzhuo3 « Mon Jul 23, 2012 7:08 am
Replies: 1
by kzhuo3 » Mon Jul 23, 2012 5:07 am

1 Replies

2006 Views

Last post by kzhuo3
Mon Jul 23, 2012 7:08 am
dielectric constant with ionic contribution

Last post by admin « Fri Jul 20, 2012 2:00 pm
Replies: 1
by deak » Tue Jul 17, 2012 8:40 am

1 Replies

1766 Views

Last post by admin
Fri Jul 20, 2012 2:00 pm
non-convergence problem in magnetic material

Last post by admin « Fri Jul 20, 2012 1:58 pm
Replies: 1
by okuno » Tue Jul 17, 2012 12:07 pm

1 Replies

2083 Views

Last post by admin
Fri Jul 20, 2012 1:58 pm
I don't know whether the calculation converge?

Last post by admin « Fri Jul 20, 2012 1:48 pm
Replies: 1
by xinhuanwen » Thu Jul 19, 2012 2:44 pm

1 Replies

970 Views

Last post by admin
Fri Jul 20, 2012 1:48 pm
Clarification on d E in stdout, OSZICAR

Last post by admin « Fri Jul 20, 2012 1:43 pm
Replies: 1
by tibeten » Thu Jul 19, 2012 1:35 am

1 Replies

1078 Views

Last post by admin
Fri Jul 20, 2012 1:43 pm
non-neutral solid calculation

Last post by olson139 « Fri Jul 20, 2012 1:13 am
Replies: 1
by luke419 » Sun Jul 15, 2012 11:13 am

1 Replies

1316 Views

Last post by olson139
Fri Jul 20, 2012 1:13 am
Calculation of orbital moments

Last post by SilviaGQ « Thu Jul 19, 2012 3:32 pm
Replies: 10
by SilviaGQ » Wed Jul 11, 2012 4:17 pm

10 Replies

5392 Views

Last post by SilviaGQ
Thu Jul 19, 2012 3:32 pm
I am in puzzle about the pdos when adopting different lorbit (<10 and >10) and the same RWIGS

Last post by xinhuanwen « Thu Jul 19, 2012 2:22 pm
Replies: 2
by xinhuanwen » Wed Jul 18, 2012 3:01 pm

2 Replies

1831 Views

Last post by xinhuanwen
Thu Jul 19, 2012 2:22 pm
Why is the DOS of uranium dioxide I calculated in metallic state?

Last post by rex881026 « Wed Jul 18, 2012 10:16 am
Replies: 3
by lanjh » Mon Apr 09, 2012 3:24 am

3 Replies

2177 Views

Last post by rex881026
Wed Jul 18, 2012 10:16 am
Positive total energy

Last post by alex « Tue Jul 17, 2012 1:03 pm
Replies: 1
by againsmile » Tue Jul 17, 2012 10:34 am

1 Replies

1161 Views

Last post by alex
Tue Jul 17, 2012 1:03 pm
How do i calculated PDOS

Last post by admin « Mon Jul 16, 2012 10:45 am
Replies: 1
by naresh124 » Sat Jul 14, 2012 8:49 pm

1 Replies

1780 Views

Last post by admin
Mon Jul 16, 2012 10:45 am
DFPT method in VASP

Last post by admin « Fri Jul 13, 2012 12:41 pm
Replies: 1
by yjzhou » Sun Jun 10, 2012 9:20 pm

1 Replies

2799 Views

Last post by admin
Fri Jul 13, 2012 12:41 pm
cell optimization with vdW-DF functional

Last post by kelum « Thu Jul 12, 2012 11:14 am
Replies: 1
by tibeten » Thu Jul 12, 2012 12:19 am

1 Replies

1405 Views

Last post by kelum
Thu Jul 12, 2012 11:14 am
Metastable structures in NEB

Last post by admin « Wed Jul 11, 2012 4:57 pm
Replies: 1
by kambiz » Thu Jun 07, 2012 1:48 am

1 Replies

1132 Views

Last post by admin
Wed Jul 11, 2012 4:57 pm

New Topic

5418 topics

Page 175 of 271
- Jump to page:
Previous
1
…
173
174
175
176
177
…
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