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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

5838 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

3363 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

3369 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

6870 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

7550 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

4352 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

4093 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

8732 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

3694 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

3957 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

6445 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

5654 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

3558 Views

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

Last post by admin « Thu Feb 19, 2009 3:47 pm
Replies: 1
by atheb » Wed Feb 18, 2009 4:17 am

1 Replies

3727 Views

Last post by admin
Thu Feb 19, 2009 3:47 pm
Incorrect energy in calculation w/ spin-orbit (vasp.4.6.28)

Last post by Modey3 « Mon Feb 16, 2009 11:05 pm
Replies: 3
by user » Mon Jan 16, 2006 2:30 am

3 Replies

5136 Views

Last post by Modey3
Mon Feb 16, 2009 11:05 pm
MPI_BLOCK

Last post by job « Sat Feb 14, 2009 8:09 am
Replies: 1
by martonak » Fri Feb 13, 2009 10:03 am

1 Replies

4620 Views

Last post by job
Sat Feb 14, 2009 8:09 am
Symmetry is not imposed on AECCAR density

Last post by admin « Mon Feb 09, 2009 1:48 pm
Replies: 1
by ssharifz » Wed Dec 17, 2008 9:59 pm

1 Replies

3505 Views

Last post by admin
Mon Feb 09, 2009 1:48 pm
ERROR FEXCF

Last post by admin « Mon Feb 09, 2009 1:36 pm
Replies: 2
by lusommmg » Sun Apr 27, 2008 12:46 pm

2 Replies

7546 Views

Last post by admin
Mon Feb 09, 2009 1:36 pm
LAPACK: Routine ZPOTRF failed! 1

Last post by admin « Mon Feb 09, 2009 1:23 pm
Replies: 1
by snoopjd » Sun Feb 08, 2009 2:17 pm

1 Replies

6477 Views

Last post by admin
Mon Feb 09, 2009 1:23 pm
LAPACK: Routine ZPOTRF failed

Last post by admin « Thu Feb 05, 2009 3:17 pm
Replies: 5
by okuno » Tue Oct 28, 2008 5:55 am

5 Replies

27145 Views

Last post by admin
Thu Feb 05, 2009 3:17 pm

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