Using VASP

Moderators: Global Moderator, Moderator

New Topic

5557 topics

Page 169 of 278
- Jump to page:
Previous
1
…
167
168
169
170
171
…
278
Next

Topics

Replies

Views

Last post

Constrained Force Relaxation

Last post by admin « Thu Aug 29, 2013 11:37 am
Replies: 1
by sonium » Wed Jul 17, 2013 3:02 pm

1 Replies

1793 Views

Last post by admin
Thu Aug 29, 2013 11:37 am
nearest neighbor table

Last post by admin « Thu Aug 29, 2013 11:27 am
Replies: 1
by bandri » Tue Aug 06, 2013 6:16 pm

1 Replies

2934 Views

Last post by admin
Thu Aug 29, 2013 11:27 am
confusion with NWRITE=3

Last post by admin « Thu Aug 29, 2013 11:24 am
Replies: 1
by askhetan » Mon Aug 12, 2013 12:41 pm

1 Replies

3471 Views

Last post by admin
Thu Aug 29, 2013 11:24 am
calculating further properties without reconverging

Last post by admin « Thu Aug 29, 2013 11:11 am
Replies: 1
by sonium » Sat Aug 17, 2013 12:17 pm

1 Replies

1800 Views

Last post by admin
Thu Aug 29, 2013 11:11 am
TD-DFT calculations

Last post by admin « Mon Aug 19, 2013 12:33 pm
Replies: 1
by wangvei » Sat Aug 17, 2013 11:31 am

1 Replies

2499 Views

Last post by admin
Mon Aug 19, 2013 12:33 pm
calculating band structure under electric field

Last post by bkiefer « Sat Aug 17, 2013 3:21 pm
Replies: 1
by piquini » Wed May 29, 2013 10:45 pm

1 Replies

2735 Views

Last post by bkiefer
Sat Aug 17, 2013 3:21 pm
Charge density plots using VESTA

Last post by askhetan « Wed Aug 14, 2013 4:03 pm
Replies: 8
by apple » Tue Jul 27, 2010 6:58 pm

8 Replies

19666 Views

Last post by askhetan
Wed Aug 14, 2013 4:03 pm
CHG file and fine FFT-grid

Last post by askhetan « Sun Aug 11, 2013 6:40 pm
Replies: 6
by winterro » Wed Feb 06, 2008 9:16 am

6 Replies

10966 Views

Last post by askhetan
Sun Aug 11, 2013 6:40 pm
Electron Density as a Function of Position from CHGCAR

Last post by askhetan « Sun Aug 11, 2013 5:51 pm
Replies: 4
by JonM » Sat Aug 25, 2012 1:00 am

4 Replies

13273 Views

Last post by askhetan
Sun Aug 11, 2013 5:51 pm
Bader analysis for US PP

Last post by bakulin « Fri Aug 09, 2013 7:46 am
Replies: 2
by bakulin » Mon Jul 29, 2013 9:41 am

2 Replies

2897 Views

Last post by bakulin
Fri Aug 09, 2013 7:46 am
OPTICAL PROPERTIES

Last post by dilnaazhikodan « Mon Aug 05, 2013 7:27 pm
Replies: 2
by dilnaazhikodan » Mon Jul 29, 2013 12:30 pm

2 Replies

2386 Views

Last post by dilnaazhikodan
Mon Aug 05, 2013 7:27 pm
KPOINTS mesh and number of k points

Last post by dilnaazhikodan « Sun Aug 04, 2013 9:26 am
Replies: 2
by dilnaazhikodan » Wed Jul 31, 2013 9:17 pm

2 Replies

2461 Views

Last post by dilnaazhikodan
Sun Aug 04, 2013 9:26 am
Ce Band structure

Last post by SKS « Sun Aug 04, 2013 5:45 am
Replies: 14
by elelel » Tue Aug 29, 2006 12:59 am

14 Replies

9427 Views

Last post by SKS
Sun Aug 04, 2013 5:45 am
How to include spin orbit LS coupling effects?

Last post by Torbjorn « Fri Aug 02, 2013 6:24 pm
Replies: 2
by kzhuo3 » Wed Jul 03, 2013 6:05 am

2 Replies

3946 Views

Last post by Torbjorn
Fri Aug 02, 2013 6:24 pm
Fermi energy calculations in VASP

Last post by Torbjorn « Fri Aug 02, 2013 6:00 pm
Replies: 1
by deepashri » Tue Jul 16, 2013 8:48 am

1 Replies

5092 Views

Last post by Torbjorn
Fri Aug 02, 2013 6:00 pm
Plotting Charge density

Last post by vasp « Thu Aug 01, 2013 8:44 am
Replies: 7
by vasp » Tue Jul 23, 2013 4:33 pm

7 Replies

11828 Views

Last post by vasp
Thu Aug 01, 2013 8:44 am
Visualizing/Plotting molecular orbitals from VASP calculations

Last post by WolverBean « Wed Jul 31, 2013 8:18 pm
Replies: 1
by saran6187 » Tue Jul 30, 2013 11:03 pm

1 Replies

6495 Views

Last post by WolverBean
Wed Jul 31, 2013 8:18 pm
crystal field splitting

Last post by asaduzza « Wed Jul 31, 2013 12:19 am
Replies: 1
by swarnakamal » Thu Jan 24, 2013 2:05 pm

1 Replies

2479 Views

Last post by asaduzza
Wed Jul 31, 2013 12:19 am
questions for spin spiral

Last post by zhuyan0305 « Fri Jul 26, 2013 2:36 pm
Replies: 1
by zhuyan0305 » Fri Jul 26, 2013 2:03 pm

1 Replies

2778 Views

Last post by zhuyan0305
Fri Jul 26, 2013 2:36 pm
GW POTCARs vs. ordinary PBE POTCARS, they result in different Total Energies! why?

Last post by hosfa « Fri Jul 26, 2013 1:37 pm
Replies: 2
by hosfa » Thu Jul 25, 2013 11:14 am

2 Replies

3243 Views

Last post by hosfa
Fri Jul 26, 2013 1:37 pm

New Topic

5557 topics

Page 169 of 278
- Jump to page:
Previous
1
…
167
168
169
170
171
…
278
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