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selective dynamics

Last post by alex « Sun Apr 25, 2010 12:56 pm
Replies: 9
by osharia » Tue Mar 30, 2010 11:49 pm

9 Replies

10061 Views

Last post by alex
Sun Apr 25, 2010 12:56 pm
POSCAR file formate

Last post by boris « Tue Apr 20, 2010 2:51 pm
Replies: 1
by hpaudel » Mon Apr 19, 2010 9:35 pm

1 Replies

2525 Views

Last post by boris
Tue Apr 20, 2010 2:51 pm
no convergence in NEB using damped verlet

Last post by admin « Fri Apr 09, 2010 11:15 am
Replies: 1
by jruhym » Wed Apr 07, 2010 10:21 pm

1 Replies

2764 Views

Last post by admin
Fri Apr 09, 2010 11:15 am
wrong elstic constans of diamone

Last post by admin « Mon Mar 29, 2010 2:45 pm
Replies: 2
by ntuxi » Sun Mar 28, 2010 11:19 am

2 Replies

3517 Views

Last post by admin
Mon Mar 29, 2010 2:45 pm
questions on phonon calculation and application on relativistic QM system.

Last post by boris « Fri Mar 26, 2010 4:04 pm
Replies: 2
by luke419 » Fri Mar 26, 2010 12:23 pm

2 Replies

4299 Views

Last post by boris
Fri Mar 26, 2010 4:04 pm
call to ZHEGV failed

Last post by ds « Wed Mar 24, 2010 9:01 am
Replies: 1
by opotzel » Sat Jan 30, 2010 1:59 pm

1 Replies

2778 Views

Last post by ds
Wed Mar 24, 2010 9:01 am
LAPACK ZPOTRF failed 5 ...

Last post by Danny « Wed Mar 24, 2010 9:00 am
Replies: 4
by Danny » Thu Mar 04, 2010 1:56 pm

4 Replies

3502 Views

Last post by Danny
Wed Mar 24, 2010 9:00 am
Failure when switching on spin-orbit coupling

Last post by admin « Thu Mar 18, 2010 12:15 pm
Replies: 4
by wellsdm » Mon Nov 05, 2007 7:58 pm

4 Replies

4623 Views

Last post by admin
Thu Mar 18, 2010 12:15 pm
internal error in subroutine SGRCON: Found some non-integer element in rotation matrix 2

Last post by admin « Thu Mar 18, 2010 12:07 pm
Replies: 1
by xqcgalaxy » Wed Jan 13, 2010 7:25 pm

1 Replies

14296 Views

Last post by admin
Thu Mar 18, 2010 12:07 pm
G0W0- error

Last post by admin « Thu Mar 18, 2010 11:57 am
Replies: 1
by abraja » Tue Feb 02, 2010 3:00 am

1 Replies

3189 Views

Last post by admin
Thu Mar 18, 2010 11:57 am
SGRCON error

Last post by DFTSIC « Mon Mar 08, 2010 5:09 pm
Replies: 5
by gabral » Fri Feb 10, 2006 12:55 am

5 Replies

12918 Views

Last post by DFTSIC
Mon Mar 08, 2010 5:09 pm
Forth-order predictor-corrector algorithm

Last post by maryam « Thu Mar 04, 2010 3:59 pm
Replies: 4
by maryam » Thu Mar 04, 2010 7:04 am

4 Replies

5246 Views

Last post by maryam
Thu Mar 04, 2010 3:59 pm
Wrong(?) results in DYNMAT with IBRION = 8: Significant difference between IBRION = 6 and IBRION = 8

Last post by boris « Fri Feb 19, 2010 12:20 pm
Replies: 4
by forsdan » Thu Jan 21, 2010 7:56 pm

4 Replies

7093 Views

Last post by boris
Fri Feb 19, 2010 12:20 pm
VASP 5.2.2 Parallel Execution - Help Needed

Last post by zoowe « Wed Feb 17, 2010 4:49 pm
Replies: 1
by sgowtham » Wed Feb 10, 2010 7:23 pm

1 Replies

5308 Views

Last post by zoowe
Wed Feb 17, 2010 4:49 pm
VASP implementation of relativistic effects

Last post by admin « Wed Feb 10, 2010 10:00 am
Replies: 2
by tsemi » Sun Jan 24, 2010 8:05 pm

2 Replies

4701 Views

Last post by admin
Wed Feb 10, 2010 10:00 am
DOS does not go to zero in the gap

Last post by admin « Wed Feb 10, 2010 8:26 am
Replies: 9
by dkanan » Wed Jan 13, 2010 9:12 pm

9 Replies

6456 Views

Last post by admin
Wed Feb 10, 2010 8:26 am
Position in the POSCAR

Last post by ezaztaw « Wed Feb 10, 2010 2:51 am
Replies: 2
by arlesv » Wed Mar 29, 2006 11:38 pm

2 Replies

4210 Views

Last post by ezaztaw
Wed Feb 10, 2010 2:51 am
phonons with hexagonal symmetry and IBRION=6

Last post by jsfilhol « Mon Feb 08, 2010 9:47 am
Replies: 2
by widom » Wed Jan 27, 2010 4:35 pm

2 Replies

4705 Views

Last post by jsfilhol
Mon Feb 08, 2010 9:47 am
Energy vs Volume ... the usual problem (?)

Last post by schani « Tue Feb 02, 2010 9:33 pm
Replies: 1
by schani » Mon Feb 01, 2010 2:22 pm

1 Replies

2826 Views

Last post by schani
Tue Feb 02, 2010 9:33 pm
WARNING: CNORMN: search vector ill defined

Last post by admin « Tue Jan 19, 2010 1:26 pm
Replies: 6
by q365 » Tue Apr 21, 2009 5:52 pm

6 Replies

11968 Views

Last post by admin
Tue Jan 19, 2010 1:26 pm

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