Using VASP

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Dependence of Gamma point band gap on directions within HSE06

Last post by admin « Tue Sep 03, 2013 12:30 pm
Replies: 1
by bakulin » Sat Aug 10, 2013 11:44 am

1 Replies

1473 Views

Last post by admin
Tue Sep 03, 2013 12:30 pm
xps spectra in vasp

Last post by admin « Tue Sep 03, 2013 10:01 am
Replies: 1
by shyam » Mon Sep 02, 2013 10:38 am

1 Replies

1698 Views

Last post by admin
Tue Sep 03, 2013 10:01 am
DOSCAR format

Last post by mohsinj677 « Mon Sep 02, 2013 6:44 am
Replies: 5
by tholme » Tue Aug 13, 2013 1:55 am

5 Replies

2669 Views

Last post by mohsinj677
Mon Sep 02, 2013 6:44 am
calcuating ldos and pdos.

Last post by mohsinj677 « Mon Sep 02, 2013 6:43 am
Replies: 4
by shyam » Thu Aug 22, 2013 10:49 am

4 Replies

2184 Views

Last post by mohsinj677
Mon Sep 02, 2013 6:43 am
Question about OPTIC file

Last post by admin « Fri Aug 30, 2013 12:59 pm
Replies: 1
by hpaudel » Thu Aug 29, 2013 6:48 pm

1 Replies

1577 Views

Last post by admin
Fri Aug 30, 2013 12:59 pm
PDOS gap states not appearing

Last post by conn.orourke « Thu Aug 29, 2013 12:47 pm
Replies: 2
by conn.orourke » Sat Aug 24, 2013 12:32 pm

2 Replies

1411 Views

Last post by conn.orourke
Thu Aug 29, 2013 12:47 pm
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

988 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

1887 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

2456 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

939 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

1609 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

1781 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

16553 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

8825 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

11399 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

1666 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

1229 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

1325 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

5359 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

1997 Views

Last post by Torbjorn
Fri Aug 02, 2013 6:24 pm

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