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SPIN-Orbit calculation dumps only one spin channel in EIGENVAL, DOSCAR files

Last post by salva « Wed Oct 18, 2006 7:29 pm
Replies: 2
by salva » Mon Oct 16, 2006 7:45 pm

2 Replies

27635 Views

Last post by salva
Wed Oct 18, 2006 7:29 pm
drfit and forces dont seem to match

Last post by admin « Wed Oct 18, 2006 3:12 pm
Replies: 1
by Franky » Thu Oct 05, 2006 9:27 am

1 Replies

12359 Views

Last post by admin
Wed Oct 18, 2006 3:12 pm
Problems with LEXCH tags in a mixed P0TCAR file

Last post by admin « Wed Oct 18, 2006 12:27 pm
Replies: 1
by szabla » Tue Oct 17, 2006 7:28 pm

1 Replies

15418 Views

Last post by admin
Wed Oct 18, 2006 12:27 pm
GCC-gfortran: bug in xml.F ?

Last post by admin « Tue Oct 03, 2006 8:40 am
Replies: 2
by lahaye » Sun Oct 01, 2006 2:38 am

2 Replies

15936 Views

Last post by admin
Tue Oct 03, 2006 8:40 am
VASP compiled with MPICH2- LAPACK ZPOTRF error

Last post by admin « Tue Oct 03, 2006 8:38 am
Replies: 4
by sudhakar » Mon Sep 25, 2006 9:01 pm

4 Replies

19928 Views

Last post by admin
Tue Oct 03, 2006 8:38 am
VASP on NERSC - LAPACK ZPOTRF error

Last post by ashinde « Fri Sep 29, 2006 5:06 pm
Replies: 4
by ashinde » Sat Sep 16, 2006 4:27 pm

4 Replies

20317 Views

Last post by ashinde
Fri Sep 29, 2006 5:06 pm
OUTCAR: s/Pullay/Pulay/

Last post by admin « Thu Sep 28, 2006 11:33 am
Replies: 1
by lahaye » Wed Sep 27, 2006 9:07 am

1 Replies

12700 Views

Last post by admin
Thu Sep 28, 2006 11:33 am
VASP using MPI libraries

Last post by admin « Wed Sep 27, 2006 9:28 am
Replies: 1
by nitin_jadon » Wed Sep 27, 2006 6:23 am

1 Replies

12182 Views

Last post by admin
Wed Sep 27, 2006 9:28 am
Charged System (Proton)

Last post by cpp6f « Sat Sep 23, 2006 2:14 am
Replies: 1
by srcalvo » Fri Sep 22, 2006 11:21 pm

1 Replies

12297 Views

Last post by cpp6f
Sat Sep 23, 2006 2:14 am
Uranium POTPAW

Last post by cdt9f « Fri Sep 22, 2006 1:46 pm
Replies: 1
by cdt9f » Tue Sep 19, 2006 6:43 pm

1 Replies

13467 Views

Last post by cdt9f
Fri Sep 22, 2006 1:46 pm
problems running with Debian3, kernel 2.4

Last post by admin « Thu Sep 21, 2006 2:27 pm

by admin » Thu Sep 21, 2006 2:27 pm

0 Replies

10110 Views

Last post by admin
Thu Sep 21, 2006 2:27 pm
technical question: how to write CHGCAR more often?

Last post by hra « Tue Sep 19, 2006 8:06 pm
Replies: 2
by hra » Thu Sep 14, 2006 11:15 pm

2 Replies

16520 Views

Last post by hra
Tue Sep 19, 2006 8:06 pm
segmentation fault after 5 iterations

Last post by admin « Tue Sep 19, 2006 12:52 pm
Replies: 2
by PÃ¤r Olsson » Wed Feb 16, 2005 9:52 am

2 Replies

22787 Views

Last post by admin
Tue Sep 19, 2006 12:52 pm
Wierd Automatically generated KPOINT

Last post by admin « Mon Sep 18, 2006 2:21 pm
Replies: 1
by darby » Thu Sep 14, 2006 10:21 pm

1 Replies

12561 Views

Last post by admin
Mon Sep 18, 2006 2:21 pm
force not converged

Last post by admin « Wed Sep 13, 2006 10:02 am
Replies: 1
by menguo » Mon Sep 11, 2006 10:23 pm

1 Replies

12585 Views

Last post by admin
Wed Sep 13, 2006 10:02 am
internal ERROR SETYLM: -9, 14, 50, 5, -10, 2*13 internal ERROR SETYLM

Last post by sridevi « Mon Sep 11, 2006 8:38 pm
Replies: 2
by sridevi » Tue Sep 05, 2006 6:56 pm

2 Replies

19605 Views

Last post by sridevi
Mon Sep 11, 2006 8:38 pm
partial DOS & PROCAR WARNING

Last post by admin « Wed Sep 06, 2006 8:23 am
Replies: 1
by lahaye » Fri Aug 25, 2006 8:02 am

1 Replies

15281 Views

Last post by admin
Wed Sep 06, 2006 8:23 am
bug in calculation of E%PSCENC

Last post by cpp6f « Fri Aug 04, 2006 7:00 pm
Replies: 2
by cpp6f » Mon Jul 24, 2006 10:04 pm

2 Replies

17787 Views

Last post by cpp6f
Fri Aug 04, 2006 7:00 pm
minor bug in rmm-diis.F

Last post by admin « Fri Aug 04, 2006 11:55 am
Replies: 1
by cpp6f » Fri Jul 28, 2006 1:59 am

1 Replies

12533 Views

Last post by admin
Fri Aug 04, 2006 11:55 am
too many electronic iterations

Last post by bandy « Wed Aug 02, 2006 6:33 am
Replies: 1
by Charles W. Bauschlicher » Fri Jul 28, 2006 8:27 pm

1 Replies

13056 Views

Last post by bandy
Wed Aug 02, 2006 6:33 am

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