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K point & Brillouin zone

Last post by oamnehc « Fri Jun 04, 2010 3:43 am
Replies: 2
by chenmy » Thu May 27, 2010 8:09 pm

2 Replies

9015 Views

Last post by oamnehc
Fri Jun 04, 2010 3:43 am
How to continue an interrupted phonon calculation?

Last post by camilo « Thu Jun 03, 2010 9:35 pm
Replies: 2
by Tiger-paw » Thu Sep 21, 2006 3:59 pm

2 Replies

7526 Views

Last post by camilo
Thu Jun 03, 2010 9:35 pm
How does VASP apply a "balancing charge" to a charged unit cell?

Last post by aw95 « Thu Jun 03, 2010 12:08 pm
Replies: 2
by aw95 » Thu May 27, 2010 4:41 pm

2 Replies

6062 Views

Last post by aw95
Thu Jun 03, 2010 12:08 pm
NEB with SOC

Last post by tsemi « Wed Jun 02, 2010 2:26 pm
Replies: 4
by tsemi » Tue Feb 16, 2010 9:32 pm

4 Replies

8343 Views

Last post by tsemi
Wed Jun 02, 2010 2:26 pm
fatal error: bracketing interval incorrect

Last post by admin « Thu May 27, 2010 2:09 pm
Replies: 1
by junjun.yu » Mon May 24, 2010 3:43 pm

1 Replies

25230 Views

Last post by admin
Thu May 27, 2010 2:09 pm
5 Image NEB "internal ERROR RSPHER:running out of buffer" or hang problems

Last post by chris_feigl « Sun May 23, 2010 4:13 am
Replies: 14
by d-farrell2 » Thu Apr 22, 2010 2:24 pm

14 Replies

29128 Views

Last post by chris_feigl
Sun May 23, 2010 4:13 am
"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

8876 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

12720 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

8528 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

5259 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

11803 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

5345 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

6886 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

30059 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

8868 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

19667 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

5492 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

5421 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

7332 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

8243 Views

Last post by boris
Fri Mar 26, 2010 4:04 pm

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