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NELECT and Converged Integrated DOS Not the Same

Last post by Modey3 « Mon Jun 29, 2009 4:31 pm
Replies: 6
by Modey3 » Sat Jun 27, 2009 1:05 pm

6 Replies

16233 Views

Last post by Modey3
Mon Jun 29, 2009 4:31 pm
scaling

Last post by pkroll « Tue Jun 23, 2009 1:56 am
Replies: 7
by martonak » Wed Jun 10, 2009 3:05 pm

7 Replies

15637 Views

Last post by pkroll
Tue Jun 23, 2009 1:56 am
Nonconverging electronic minimization for specific magnetic systems

Last post by pkroll « Tue Jun 23, 2009 1:35 am
Replies: 3
by alexeydick » Sun May 10, 2009 6:16 pm

3 Replies

10795 Views

Last post by pkroll
Tue Jun 23, 2009 1:35 am
VASP 4.6 Error in IBZKPT: KPT>NKDIM

Last post by admin « Mon Jun 22, 2009 9:51 am
Replies: 1
by dlonie » Wed Jun 17, 2009 11:23 pm

1 Replies

9244 Views

Last post by admin
Mon Jun 22, 2009 9:51 am
VASP 5.2 and CONTCAR files

Last post by metosa « Sun Jun 14, 2009 1:41 pm
Replies: 1
by metosa » Mon May 25, 2009 1:59 pm

1 Replies

7661 Views

Last post by metosa
Sun Jun 14, 2009 1:41 pm
VASP 5.2.2 Seg Faults on some problems

Last post by d-farrell2 « Thu Jun 11, 2009 7:13 pm
Replies: 2
by d-farrell2 » Thu Jun 11, 2009 7:09 pm

2 Replies

8131 Views

Last post by d-farrell2
Thu Jun 11, 2009 7:13 pm
fatal internal in brackting...

Last post by cylee « Fri May 29, 2009 9:21 pm
Replies: 13
by Danny » Mon Oct 22, 2007 4:16 pm

13 Replies

25742 Views

Last post by cylee
Fri May 29, 2009 9:21 pm
k-point decomposed charge density

Last post by metosa « Wed May 27, 2009 1:02 pm
Replies: 1
by kamala » Tue May 26, 2009 6:39 pm

1 Replies

6618 Views

Last post by metosa
Wed May 27, 2009 1:02 pm
G-vectors in wavedes

Last post by karmabandit « Wed May 20, 2009 5:24 pm
Replies: 4
by jnoffsinger » Wed Mar 04, 2009 4:16 pm

4 Replies

11493 Views

Last post by karmabandit
Wed May 20, 2009 5:24 pm
Calculation converges with Al potential but not Al_h?

Last post by bmeredig « Tue May 19, 2009 6:48 pm
Replies: 3
by bmeredig » Mon May 11, 2009 10:31 pm

3 Replies

9338 Views

Last post by bmeredig
Tue May 19, 2009 6:48 pm
Comparing serial to parallel version

Last post by alex « Thu Apr 30, 2009 9:05 am
Replies: 1
by mtvand2 » Tue Apr 28, 2009 10:48 pm

1 Replies

6627 Views

Last post by alex
Thu Apr 30, 2009 9:05 am
technical question about frequency calculation

Last post by alex « Tue Apr 21, 2009 3:06 pm
Replies: 3
by bademoor » Mon Apr 06, 2009 8:31 am

3 Replies

10194 Views

Last post by alex
Tue Apr 21, 2009 3:06 pm
"LAPACK: Routine ZPOTRF failed" error occurred in VASP CI-NEB calculation

Last post by tracy « Sun Apr 12, 2009 2:47 am
Replies: 4
by tracy » Tue Apr 07, 2009 7:01 pm

4 Replies

13905 Views

Last post by tracy
Sun Apr 12, 2009 2:47 am
VASP cause computer freeze

Last post by admin « Fri Apr 10, 2009 4:26 pm
Replies: 1
by LM » Mon Apr 06, 2009 2:39 am

1 Replies

6388 Views

Last post by admin
Fri Apr 10, 2009 4:26 pm
strange result of relaxation and static calculation

Last post by admin « Fri Apr 10, 2009 4:12 pm
Replies: 3
by mariesto » Thu Mar 05, 2009 8:52 am

3 Replies

11517 Views

Last post by admin
Fri Apr 10, 2009 4:12 pm
probleme of calculation frequences

Last post by admin « Fri Apr 10, 2009 3:44 pm
Replies: 1
by rghomari » Wed Apr 08, 2009 6:40 pm

1 Replies

6972 Views

Last post by admin
Fri Apr 10, 2009 3:44 pm
NEB and atoms leaving cell

Last post by admin « Fri Apr 10, 2009 3:27 pm
Replies: 1
by david6477 » Thu Apr 02, 2009 6:50 pm

1 Replies

7076 Views

Last post by admin
Fri Apr 10, 2009 3:27 pm
What it's the problem? What it means: Exited with exit code 255 ???

Last post by admin « Mon Mar 30, 2009 2:17 pm
Replies: 1
by sebasdux » Sat Mar 28, 2009 7:40 pm

1 Replies

11574 Views

Last post by admin
Mon Mar 30, 2009 2:17 pm
Calculating Surface Band Structure

Last post by mrm « Thu Mar 26, 2009 11:58 pm
Replies: 4
by mrm » Sat Feb 28, 2009 2:48 am

4 Replies

13927 Views

Last post by mrm
Thu Mar 26, 2009 11:58 pm
How to correct the dipole's effect on planar averaged potential?

Last post by sjtu « Sat Mar 21, 2009 12:15 am
Replies: 2
by sjtu » Thu Mar 19, 2009 7:58 pm

2 Replies

9219 Views

Last post by sjtu
Sat Mar 21, 2009 12:15 am

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