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Various issues with Berry phase calculations

Last post by jlbettis « Thu Jul 29, 2010 4:31 am
Replies: 4
by camilo » Wed Oct 22, 2008 9:22 pm

4 Replies

6246 Views

Last post by jlbettis
Thu Jul 29, 2010 4:31 am
Calculation DOS with HSE

Last post by cocopengy « Tue Jul 27, 2010 2:10 am
Replies: 1
by cocopengy » Tue Jul 27, 2010 1:47 am

1 Replies

3445 Views

Last post by cocopengy
Tue Jul 27, 2010 2:10 am
Berry Phase Calculations

Last post by admin « Mon Jul 26, 2010 1:53 pm
Replies: 1
by assari10 » Fri Jul 16, 2010 3:46 am

1 Replies

2709 Views

Last post by admin
Mon Jul 26, 2010 1:53 pm
"magnetization" is absent in outcar

Last post by enlvamp « Mon Jul 19, 2010 5:40 pm
Replies: 3
by wuxiang » Sun May 23, 2010 12:56 am

3 Replies

6076 Views

Last post by enlvamp
Mon Jul 19, 2010 5:40 pm
Solid and gas phase energies for Acetic Acid

Last post by alex « Mon Jul 19, 2010 6:29 am
Replies: 3
by CStar » Fri Jul 16, 2010 10:56 am

3 Replies

4493 Views

Last post by alex
Mon Jul 19, 2010 6:29 am
why CHG file changes when I set ICHARG=11

Last post by castella « Thu Jul 15, 2010 6:10 pm
Replies: 4
by zj » Tue May 17, 2005 1:31 pm

4 Replies

5374 Views

Last post by castella
Thu Jul 15, 2010 6:10 pm
LEPSILON vs LOPTICS

Last post by wahyu « Thu Jul 15, 2010 2:27 pm
Replies: 1
by dekoning » Fri Apr 09, 2010 8:07 pm

1 Replies

3454 Views

Last post by wahyu
Thu Jul 15, 2010 2:27 pm
Result different for different K mesh and different between self consistent and non self consistent

Last post by hatdau « Mon Jul 12, 2010 4:29 pm
Replies: 1
by hatdau » Thu Jul 08, 2010 2:37 pm

1 Replies

2455 Views

Last post by hatdau
Mon Jul 12, 2010 4:29 pm
ERROR for HSE simulation: LAPACK: Routine ZTRTRI failed! 1

Last post by admin « Thu Jul 01, 2010 9:21 am
Replies: 1
by fzcsydl » Tue May 25, 2010 11:41 pm

1 Replies

3022 Views

Last post by admin
Thu Jul 01, 2010 9:21 am
Error comes for Spin-Orbit calculation

Last post by admin « Thu Jul 01, 2010 7:26 am
Replies: 1
by Arti » Wed Jun 30, 2010 7:01 pm

1 Replies

2797 Views

Last post by admin
Thu Jul 01, 2010 7:26 am
manual: Molecular Dynamics

Last post by forsdan « Wed Jun 30, 2010 8:40 am
Replies: 1
by asija » Wed Jun 30, 2010 8:26 am

1 Replies

2514 Views

Last post by forsdan
Wed Jun 30, 2010 8:40 am
molybdenum potential problem

Last post by admin « Tue Jun 29, 2010 2:54 pm
Replies: 1
by nfs21cn » Tue Jun 08, 2010 3:23 am

1 Replies

2628 Views

Last post by admin
Tue Jun 29, 2010 2:54 pm
Occupation numbers in PROCAR of spin-polarized calculations

Last post by admin « Tue Jun 29, 2010 2:28 pm
Replies: 1
by quantumncyu » Fri Jun 18, 2010 7:15 am

1 Replies

3574 Views

Last post by admin
Tue Jun 29, 2010 2:28 pm
Why are there two components of phase factors in PROCAR?

Last post by admin « Tue Jun 29, 2010 2:25 pm
Replies: 1
by quantumncyu » Fri Jun 18, 2010 7:32 am

1 Replies

2597 Views

Last post by admin
Tue Jun 29, 2010 2:25 pm
band structure with HSE

Last post by alex « Mon Jun 28, 2010 12:25 pm
Replies: 1
by PCS » Mon Jun 28, 2010 8:28 am

1 Replies

2752 Views

Last post by alex
Mon Jun 28, 2010 12:25 pm
band structure

Last post by forsdan « Thu Jun 24, 2010 1:41 pm
Replies: 1
by kamala » Wed Jun 23, 2010 10:31 am

1 Replies

2529 Views

Last post by forsdan
Thu Jun 24, 2010 1:41 pm
how does VASP decide unit cell structure?

Last post by forsdan « Thu Jun 17, 2010 8:18 am
Replies: 4
by fzcsydl » Tue Jun 15, 2010 5:48 pm

4 Replies

4019 Views

Last post by forsdan
Thu Jun 17, 2010 8:18 am
Wrong stress tensor computed by VASP 4.6?

Last post by forsdan « Sun Jun 06, 2010 8:09 pm
Replies: 1
by maartendft » Sun Jun 06, 2010 5:46 pm

1 Replies

2791 Views

Last post by forsdan
Sun Jun 06, 2010 8:09 pm
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

5461 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

4268 Views

Last post by camilo
Thu Jun 03, 2010 9:35 pm

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