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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

2870 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

4931 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

3590 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

2838 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

4291 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

7163 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

2710 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

5420 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

3065 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

3072 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

6407 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

7060 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

3893 Views

Last post by sjtu
Sat Mar 21, 2009 12:15 am
alpha+bet in calculating absolute eigenvalues

Last post by admin « Thu Mar 12, 2009 2:31 pm
Replies: 1
by giacomo giorgi » Thu Mar 12, 2009 4:31 am

1 Replies

3755 Views

Last post by admin
Thu Mar 12, 2009 2:31 pm
Error EDDDAV: Call to ZHEGV failed. Returncode = 25 2 2

Last post by admin « Wed Mar 11, 2009 2:34 pm
Replies: 1
by wahyu » Wed Mar 11, 2009 1:59 pm

1 Replies

8420 Views

Last post by admin
Wed Mar 11, 2009 2:34 pm
NEB Calculation Hanging Up on 1st Electronic Step

Last post by admin « Tue Mar 10, 2009 1:56 pm
Replies: 1
by Modey3 » Sun Mar 08, 2009 6:49 pm

1 Replies

3385 Views

Last post by admin
Tue Mar 10, 2009 1:56 pm
how to constrain the value and direction in magnetic calculation

Last post by admin « Fri Mar 06, 2009 4:23 pm
Replies: 1
by chamn » Fri Feb 20, 2009 9:43 am

1 Replies

3588 Views

Last post by admin
Fri Mar 06, 2009 4:23 pm
LAPACK: Routine ZPOTRF failed! 1

Last post by adebayo « Tue Mar 03, 2009 4:25 pm
Replies: 2
by mlusk » Fri Feb 13, 2009 11:44 pm

2 Replies

5976 Views

Last post by adebayo
Tue Mar 03, 2009 4:25 pm
lattice constant optimize

Last post by forsdan « Sat Feb 28, 2009 10:38 am
Replies: 3
by huijiany » Fri Feb 27, 2009 12:46 am

3 Replies

5126 Views

Last post by forsdan
Sat Feb 28, 2009 10:38 am
strange in DOS result for CO free molecule

Last post by admin « Mon Feb 23, 2009 1:38 pm
Replies: 1
by pnita » Sat Feb 21, 2009 9:46 pm

1 Replies

3186 Views

Last post by admin
Mon Feb 23, 2009 1:38 pm

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