Using VASP

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Units of stress tensor in vasprun.xml

Last post by admin « Mon Jan 28, 2008 12:55 pm
Replies: 1
by michaeleric.williams » Thu Jan 24, 2008 1:55 pm

1 Replies

5325 Views

Last post by admin
Mon Jan 28, 2008 12:55 pm
POTCAR

Last post by admin « Mon Jan 28, 2008 12:01 pm
Replies: 1
by saswata » Fri Jan 18, 2008 10:48 am

1 Replies

4373 Views

Last post by admin
Mon Jan 28, 2008 12:01 pm
selective relaxation of cell parameters

Last post by admin « Mon Jan 28, 2008 10:33 am
Replies: 1
by rgc » Thu Jan 17, 2008 7:45 am

1 Replies

4560 Views

Last post by admin
Mon Jan 28, 2008 10:33 am
Convergence problem

Last post by admin « Mon Jan 28, 2008 10:03 am
Replies: 2
by dan » Tue Jan 15, 2008 4:13 pm

2 Replies

6635 Views

Last post by admin
Mon Jan 28, 2008 10:03 am
Please give me your help.

Last post by admin « Mon Jan 28, 2008 9:55 am
Replies: 1
by matylove » Tue Jan 15, 2008 1:50 pm

1 Replies

3853 Views

Last post by admin
Mon Jan 28, 2008 9:55 am
NBO

Last post by admin « Mon Jan 28, 2008 9:51 am
Replies: 1
by minyork » Mon Jan 14, 2008 4:21 pm

1 Replies

5227 Views

Last post by admin
Mon Jan 28, 2008 9:51 am
About Smearing Methods for small gap materials

Last post by admin « Mon Jan 28, 2008 9:50 am
Replies: 1
by cyc99 » Tue Jan 08, 2008 8:33 pm

1 Replies

4740 Views

Last post by admin
Mon Jan 28, 2008 9:50 am
L(S)DA+U and charge disproportionation problem

Last post by admin « Mon Jan 28, 2008 9:48 am
Replies: 1
by againsmile » Tue Jan 08, 2008 8:05 pm

1 Replies

4373 Views

Last post by admin
Mon Jan 28, 2008 9:48 am
external pressure

Last post by centauris « Tue Jan 15, 2008 12:30 am
Replies: 3
by lsam » Wed Jan 02, 2008 3:42 pm

3 Replies

8907 Views

Last post by centauris
Tue Jan 15, 2008 12:30 am
Error

Last post by forsdan « Thu Jan 03, 2008 3:42 pm
Replies: 1
by mumu03101 » Fri Dec 28, 2007 12:03 pm

1 Replies

4180 Views

Last post by forsdan
Thu Jan 03, 2008 3:42 pm
VASP convergence

Last post by admin « Thu Jan 03, 2008 10:35 am
Replies: 1
by saswata » Mon Dec 31, 2007 6:31 am

1 Replies

4356 Views

Last post by admin
Thu Jan 03, 2008 10:35 am
how do translate PROCAR into COOP?

Last post by xiaomatao « Thu Jan 03, 2008 1:50 am
Replies: 2
by shb_xtu » Tue Jan 01, 2008 12:30 pm

2 Replies

5487 Views

Last post by xiaomatao
Thu Jan 03, 2008 1:50 am
surface stress

Last post by vasp « Thu Dec 27, 2007 8:03 am
Replies: 3
by vasp » Fri Nov 09, 2007 2:33 pm

3 Replies

6612 Views

Last post by vasp
Thu Dec 27, 2007 8:03 am
about monopole correction

Last post by crazyweed « Mon Dec 24, 2007 2:35 am
Replies: 2
by crazyweed » Fri Dec 14, 2007 4:17 pm

2 Replies

5652 Views

Last post by crazyweed
Mon Dec 24, 2007 2:35 am
magnatization

Last post by chandre « Sat Dec 22, 2007 7:40 pm
Replies: 5
by chandre » Sun Dec 16, 2007 5:51 am

5 Replies

7357 Views

Last post by chandre
Sat Dec 22, 2007 7:40 pm
How to set reasonable and high efficiency NPAR:?

Last post by wlyim « Fri Dec 21, 2007 10:16 am
Replies: 1
by chenweiguang » Thu Dec 13, 2007 4:30 am

1 Replies

4004 Views

Last post by wlyim
Fri Dec 21, 2007 10:16 am
some question about MD calculations

Last post by fanghz « Wed Dec 19, 2007 12:59 am
Replies: 4
by tfb » Tue Oct 30, 2007 12:16 pm

4 Replies

6980 Views

Last post by fanghz
Wed Dec 19, 2007 12:59 am
About the external electric field and periodic boundary condition

Last post by admin « Mon Dec 17, 2007 7:57 am
Replies: 1
by zhichengzhong » Sat Dec 15, 2007 3:13 pm

1 Replies

4872 Views

Last post by admin
Mon Dec 17, 2007 7:57 am
Is the GW methods implemented in the latest version of VASP?

Last post by admin « Fri Dec 14, 2007 11:13 am
Replies: 1
by cyc99 » Fri Dec 14, 2007 7:32 am

1 Replies

4000 Views

Last post by admin
Fri Dec 14, 2007 11:13 am
What about the "total" total-charge density?

Last post by admin « Thu Dec 13, 2007 8:21 am
Replies: 1
by nakhmans » Tue Dec 04, 2007 9:39 pm

1 Replies

4188 Views

Last post by admin
Thu Dec 13, 2007 8:21 am

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