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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

4041 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

4092 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

5107 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

4074 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

4120 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

4118 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

6993 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

4093 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

7495 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

6226 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

4784 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

6677 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

23381 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

24035 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

7258 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

10182 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

6769 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

4158 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

9634 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

4284 Views

Last post by Sonny
Wed May 05, 2010 5:57 am

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