Using VASP

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wavecar visualization

Last post by tlchan « Mon Nov 28, 2011 6:59 am
Replies: 2
by xamnidar » Tue Nov 15, 2011 8:56 pm

2 Replies

3675 Views

Last post by tlchan
Mon Nov 28, 2011 6:59 am
Is negative defect formation energy reasonable?

Last post by Neutrino « Sun Nov 27, 2011 3:19 pm
Replies: 13
by zhu » Sat Nov 12, 2011 6:36 pm

13 Replies

15590 Views

Last post by Neutrino
Sun Nov 27, 2011 3:19 pm
energy shift

Last post by admin « Fri Nov 25, 2011 8:44 pm
Replies: 4
by autieri » Tue Jul 26, 2011 9:34 pm

4 Replies

5513 Views

Last post by admin
Fri Nov 25, 2011 8:44 pm
Negative Charge Density in Ge PAWLDA problem

Last post by Danny « Fri Nov 25, 2011 8:38 pm
Replies: 3
by kundog00 » Mon May 26, 2008 5:07 am

3 Replies

6697 Views

Last post by Danny
Fri Nov 25, 2011 8:38 pm
How works nmr.f routine

Last post by admin « Fri Nov 25, 2011 8:36 pm
Replies: 1
by egrau » Wed Nov 23, 2011 3:03 pm

1 Replies

2871 Views

Last post by admin
Fri Nov 25, 2011 8:36 pm
A question about NGX, NGY and NGZ

Last post by admin « Fri Nov 25, 2011 8:25 pm
Replies: 1
by zzhlax » Sat Nov 19, 2011 7:42 am

1 Replies

3091 Views

Last post by admin
Fri Nov 25, 2011 8:25 pm
bug in ELF?

Last post by ekadants « Thu Nov 24, 2011 9:24 pm
Replies: 1
by ekadants » Thu Nov 24, 2011 7:22 pm

1 Replies

3171 Views

Last post by ekadants
Thu Nov 24, 2011 9:24 pm
reciprocal space

Last post by liuhongfei « Thu Nov 24, 2011 11:53 am
Replies: 1
by abmo » Wed Nov 23, 2011 1:55 pm

1 Replies

2685 Views

Last post by liuhongfei
Thu Nov 24, 2011 11:53 am
How do I get value of polarization

Last post by lufly89 « Mon Nov 21, 2011 6:22 pm
Replies: 1
by lufly89 » Sat Nov 19, 2011 12:31 pm

1 Replies

2991 Views

Last post by lufly89
Mon Nov 21, 2011 6:22 pm
Entries of MAGMOM with LSORBIT = .TRUE.

Last post by liuhongfei « Fri Nov 18, 2011 1:19 pm
Replies: 2
by mdmukadam » Fri Nov 04, 2011 2:18 pm

2 Replies

3682 Views

Last post by liuhongfei
Fri Nov 18, 2011 1:19 pm
I am confused by the entropy.

Last post by vistawanted « Fri Nov 18, 2011 1:12 pm
Replies: 5
by dyc_2008 » Tue Nov 15, 2011 8:51 am

5 Replies

49244 Views

Last post by vistawanted
Fri Nov 18, 2011 1:12 pm
Some question about self-consistent calculation

Last post by dyc_2008 « Wed Nov 16, 2011 2:42 pm
Replies: 2
by dyc_2008 » Thu Nov 10, 2011 7:25 am

2 Replies

3028 Views

Last post by dyc_2008
Wed Nov 16, 2011 2:42 pm
How to derive the projected bulk band structure?

Last post by zzhlax « Wed Nov 16, 2011 11:36 am
Replies: 3
by zzhlax » Fri Nov 11, 2011 8:11 am

3 Replies

4394 Views

Last post by zzhlax
Wed Nov 16, 2011 11:36 am
vdW question

Last post by mispcs « Tue Nov 15, 2011 7:31 pm
Replies: 2
by mispcs » Tue Nov 15, 2011 4:39 pm

2 Replies

3117 Views

Last post by mispcs
Tue Nov 15, 2011 7:31 pm
which version of paw potential used in related vdw-DF calculation? LDA or GGA (PW91, PBE)

Last post by kelum « Fri Nov 11, 2011 1:16 pm
Replies: 1
by njuxyh » Fri Nov 11, 2011 9:27 am

1 Replies

3616 Views

Last post by kelum
Fri Nov 11, 2011 1:16 pm
is the parameters setting in vdw-DF functional needs to be varied withing different system

Last post by njuxyh « Fri Nov 11, 2011 9:10 am
Replies: 2
by njuxyh » Thu Nov 10, 2011 2:26 pm

2 Replies

4033 Views

Last post by njuxyh
Fri Nov 11, 2011 9:10 am
Explicit k-point mesh

Last post by tlchan « Thu Nov 10, 2011 6:07 am
Replies: 1
by darshw » Sat Nov 05, 2011 4:02 am

1 Replies

2875 Views

Last post by tlchan
Thu Nov 10, 2011 6:07 am
Band Structure Problem

Last post by Kety321 « Thu Nov 10, 2011 5:57 am
Replies: 15
by shaka » Sun Sep 30, 2007 5:59 pm
1

2
15 Replies

24589 Views

Last post by Kety321
Thu Nov 10, 2011 5:57 am
NEB question

Last post by gjenness « Wed Nov 09, 2011 11:02 pm
Replies: 2
by gjenness » Mon Oct 31, 2011 10:44 pm

2 Replies

2893 Views

Last post by gjenness
Wed Nov 09, 2011 11:02 pm
Kinetic Energy Term

Last post by sfli « Wed Nov 09, 2011 8:38 pm
Replies: 3
by xsavvas » Mon Jul 24, 2006 6:26 pm

3 Replies

4869 Views

Last post by sfli
Wed Nov 09, 2011 8:38 pm

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