Using VASP

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Checking the spin multiplicity of the calculated system

Last post by alex « Wed Sep 11, 2013 8:52 am
Replies: 1
by mpoemis » Wed Sep 11, 2013 1:58 am

1 Replies

2438 Views

Last post by alex
Wed Sep 11, 2013 8:52 am
Precision of EIGENVAL output

Last post by darshw « Wed Sep 11, 2013 8:31 am
Replies: 2
by darshw » Tue Sep 10, 2013 2:09 am

2 Replies

2158 Views

Last post by darshw
Wed Sep 11, 2013 8:31 am
spin orbit NSCF calculation

Last post by giacomo giorgi « Fri Sep 06, 2013 12:32 pm
Replies: 2
by giacomo giorgi » Tue Aug 27, 2013 2:07 pm

2 Replies

2928 Views

Last post by giacomo giorgi
Fri Sep 06, 2013 12:32 pm
question about the CHG and CHGCAR file

Last post by ydjameslee « Fri Sep 06, 2013 10:23 am
Replies: 2
by ydjameslee » Mon Aug 26, 2013 9:25 am

2 Replies

2490 Views

Last post by ydjameslee
Fri Sep 06, 2013 10:23 am
Zero Point Energy in VASP

Last post by perez2013 « Thu Sep 05, 2013 8:14 pm
Replies: 13
by askhetan » Mon Dec 03, 2012 4:29 pm

13 Replies

26787 Views

Last post by perez2013
Thu Sep 05, 2013 8:14 pm
Spin orbit coupling energy

Last post by ido « Wed Sep 04, 2013 2:34 pm
Replies: 2
by ido » Tue Aug 27, 2013 9:59 am

2 Replies

2428 Views

Last post by ido
Wed Sep 04, 2013 2:34 pm
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

2233 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

2420 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

4022 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

3454 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

2244 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

2162 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

1594 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

2735 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

3259 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

1582 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

2293 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

2520 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

19137 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

10562 Views

Last post by askhetan
Sun Aug 11, 2013 6:40 pm

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