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"reached required accuracy" without meeting the required EDIFFG

Last post by VASP001 « Sat May 22, 2010 11:36 pm
Replies: 3
by cenwanglai » Sat May 08, 2010 3:24 am

3 Replies

8149 Views

Last post by VASP001
Sat May 22, 2010 11:36 pm
segmentation fault at the start of HF part of HSE calculation

Last post by panda « Wed May 19, 2010 4:28 pm
Replies: 7
by Danny » Fri Mar 05, 2010 12:55 pm

7 Replies

11491 Views

Last post by panda
Wed May 19, 2010 4:28 pm
starnge error in the OUTCAR file

Last post by sudeep « Sun May 16, 2010 2:07 pm
Replies: 4
by sudeep » Wed May 05, 2010 11:52 am

4 Replies

7786 Views

Last post by sudeep
Sun May 16, 2010 2:07 pm
Energy different in each electronic iteration with different number of CPU

Last post by forsdan « Wed May 12, 2010 4:14 pm
Replies: 1
by jankey » Wed May 12, 2010 3:57 pm

1 Replies

4818 Views

Last post by forsdan
Wed May 12, 2010 4:14 pm
problem in AFM calculation

Last post by forsdan « Sat May 08, 2010 2:27 pm
Replies: 5
by jzzhao » Fri Apr 30, 2010 3:23 am

5 Replies

10798 Views

Last post by forsdan
Sat May 08, 2010 2:27 pm
VASP parallel

Last post by Sonny « Wed May 05, 2010 5:57 am
Replies: 1
by Sonny » Sun Apr 18, 2010 8:59 pm

1 Replies

4914 Views

Last post by Sonny
Wed May 05, 2010 5:57 am
SAXIS Error when attemping SOC calculations

Last post by jzzhao « Fri Apr 30, 2010 3:29 am
Replies: 2
by jlbettis » Thu Mar 11, 2010 1:28 am

2 Replies

6360 Views

Last post by jzzhao
Fri Apr 30, 2010 3:29 am
what does "ZBRENT" mean?

Last post by happy « Wed Apr 28, 2010 7:53 am
Replies: 3
by Kertick » Tue Oct 17, 2006 4:14 am

3 Replies

29010 Views

Last post by happy
Wed Apr 28, 2010 7:53 am
For NCPUS>56 get 'internal ERROR RSPHER'

Last post by chris_feigl « Tue Apr 27, 2010 1:40 am
Replies: 3
by chris_feigl » Thu Apr 22, 2010 3:22 am

3 Replies

8237 Views

Last post by chris_feigl
Tue Apr 27, 2010 1:40 am
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

17842 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

5064 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

4994 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

6792 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

7695 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

5105 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

7550 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

9183 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

17009 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

5735 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

18189 Views

Last post by DFTSIC
Mon Mar 08, 2010 5:09 pm

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