Using VASP

Moderators: Global Moderator, Moderator

New Topic

5827 topics

Page 204 of 292
- Jump to page:
Previous
1
…
202
203
204
205
206
…
292
Next

Topics

Replies

Views

Last post

Is the higher the ENCUT, the higher the accuracy we get?

Last post by KurtG « Fri Jan 06, 2012 4:02 pm
Replies: 2
by KurtG » Fri Jan 06, 2012 5:16 am

2 Replies

5117 Views

Last post by KurtG
Fri Jan 06, 2012 4:02 pm
HSE calculation

Last post by magnon963 « Fri Jan 06, 2012 7:06 am
Replies: 2
by magnon963 » Sat Dec 31, 2011 5:55 am

2 Replies

3227 Views

Last post by magnon963
Fri Jan 06, 2012 7:06 am
constrained LDA

Last post by tekalign « Thu Jan 05, 2012 5:51 pm
Replies: 6
by linglin » Sat May 24, 2008 12:51 pm

6 Replies

7114 Views

Last post by tekalign
Thu Jan 05, 2012 5:51 pm
Calculating Simulated STM

Last post by admin « Wed Jan 04, 2012 5:16 pm
Replies: 7
by sjensen313 » Mon Dec 19, 2011 7:42 pm

7 Replies

10878 Views

Last post by admin
Wed Jan 04, 2012 5:16 pm
Should I use the WAVECAR and CHGCAR to a static self-consistent calculation?

Last post by admin « Wed Jan 04, 2012 4:45 pm
Replies: 1
by dyc_2008 » Fri Dec 23, 2011 9:26 am

1 Replies

3045 Views

Last post by admin
Wed Jan 04, 2012 4:45 pm
binding energy

Last post by admin « Wed Jan 04, 2012 4:35 pm
Replies: 1
by apple » Sat Dec 31, 2011 11:35 pm

1 Replies

2752 Views

Last post by admin
Wed Jan 04, 2012 4:35 pm
Ultra Soft PP

Last post by admin « Wed Jan 04, 2012 4:28 pm
Replies: 1
by mayankaditya » Fri Dec 30, 2011 5:19 pm

1 Replies

2430 Views

Last post by admin
Wed Jan 04, 2012 4:28 pm
Visualizing MOs?

Last post by tlchan « Mon Jan 02, 2012 5:08 am
Replies: 2
by Synergy » Thu Dec 22, 2011 10:28 pm

2 Replies

3967 Views

Last post by tlchan
Mon Jan 02, 2012 5:08 am
[Q] band structure calculation with spin-orbit interaction

Last post by einsteinn « Fri Dec 30, 2011 3:02 pm
Replies: 1
by sondon » Tue Sep 07, 2010 4:21 pm

1 Replies

6956 Views

Last post by einsteinn
Fri Dec 30, 2011 3:02 pm
Fat band plot

Last post by mforti « Tue Dec 27, 2011 3:35 am
Replies: 6
by leostorm10 » Tue Jun 14, 2011 8:56 pm

6 Replies

24510 Views

Last post by mforti
Tue Dec 27, 2011 3:35 am
Cu doped ZnOnws can not converge

Last post by Danny « Fri Dec 23, 2011 3:08 pm
Replies: 1
by theseguys » Thu Dec 22, 2011 4:22 pm

1 Replies

2637 Views

Last post by Danny
Fri Dec 23, 2011 3:08 pm
Atomization energy problem

Last post by jber « Thu Dec 15, 2011 6:36 pm
Replies: 16
by jber » Fri Jul 08, 2011 9:15 pm
1

2
16 Replies

12246 Views

Last post by jber
Thu Dec 15, 2011 6:36 pm
Calculation of ionization of a system?

Last post by mff7d « Thu Dec 15, 2011 3:56 am
Replies: 1
by jjhsk » Tue Sep 06, 2005 7:12 am

1 Replies

4846 Views

Last post by mff7d
Thu Dec 15, 2011 3:56 am
PCDAT file

Last post by ccccc « Wed Dec 14, 2011 2:17 pm
Replies: 2
by ccccc » Thu Dec 08, 2011 12:12 pm

2 Replies

4099 Views

Last post by ccccc
Wed Dec 14, 2011 2:17 pm
which one is better for Mo(Mo VS. Mo_pv)?

Last post by tlchan « Mon Dec 12, 2011 3:47 am
Replies: 1
by qqluo » Mon Dec 05, 2011 7:19 pm

1 Replies

2479 Views

Last post by tlchan
Mon Dec 12, 2011 3:47 am
Berry phase polarization calcuation using hybrid xc-functional

Last post by odieguez « Fri Dec 09, 2011 1:43 pm
Replies: 4
by ynwu » Thu Apr 01, 2010 3:46 am

4 Replies

5402 Views

Last post by odieguez
Fri Dec 09, 2011 1:43 pm
How to get Pair Correlation Function from MD simulation

Last post by ccccc « Thu Dec 08, 2011 2:13 pm
Replies: 2
by zhuanghl » Thu Sep 27, 2007 12:23 pm

2 Replies

4814 Views

Last post by ccccc
Thu Dec 08, 2011 2:13 pm
HSE06 Calculation

Last post by Piotr « Wed Dec 07, 2011 8:03 pm
Replies: 5
by duncand » Tue Nov 29, 2011 9:32 am

5 Replies

12265 Views

Last post by Piotr
Wed Dec 07, 2011 8:03 pm
problem about vdW-DFT in vasp5.2.12

Last post by kelum « Mon Dec 05, 2011 3:35 pm
Replies: 2
by Li Huang » Thu Dec 01, 2011 10:30 pm

2 Replies

3359 Views

Last post by kelum
Mon Dec 05, 2011 3:35 pm
A question about the EATOM in POTCAR

Last post by dyc_2008 « Mon Dec 05, 2011 8:28 am
Replies: 2
by dyc_2008 » Tue Nov 29, 2011 6:09 am

2 Replies

3435 Views

Last post by dyc_2008
Mon Dec 05, 2011 8:28 am

New Topic

5827 topics

Page 204 of 292
- Jump to page:
Previous
1
…
202
203
204
205
206
…
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