Using VASP

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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

2171 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

1949 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

5085 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

1837 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

2008 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

2555 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

3175 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

2631 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

3083 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

1703 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

2831 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

2511 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

1874 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

1917 Views

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

Last post by admin « Thu Dec 13, 2007 8:16 am
Replies: 1
by saswata » Thu Dec 13, 2007 7:19 am

1 Replies

1856 Views

Last post by admin
Thu Dec 13, 2007 8:16 am
DOSCAR - order of d orbitals

Last post by admin « Thu Dec 13, 2007 7:27 am
Replies: 3
by jelenajelic » Tue Oct 23, 2007 5:58 pm

3 Replies

9351 Views

Last post by admin
Thu Dec 13, 2007 7:27 am
How can I get the infromation of HOMO, LUMO and band gap

Last post by admin « Tue Dec 11, 2007 12:51 pm
Replies: 1
by lvchen » Sat Dec 08, 2007 5:18 am

1 Replies

5416 Views

Last post by admin
Tue Dec 11, 2007 12:51 pm
MD silulation with VASP

Last post by admin « Tue Dec 11, 2007 12:40 pm
Replies: 1
by whzhang » Mon Dec 10, 2007 4:41 pm

1 Replies

2003 Views

Last post by admin
Tue Dec 11, 2007 12:40 pm
set RWIGS

Last post by admin « Wed Dec 05, 2007 12:26 pm
Replies: 1
by lsam » Tue Dec 04, 2007 6:01 pm

1 Replies

2511 Views

Last post by admin
Wed Dec 05, 2007 12:26 pm
how to use the results to calculate thepolarization of PbTiO3

Last post by hbushubiao « Wed Dec 05, 2007 11:38 am
Replies: 2
by hbushubiao » Mon Dec 03, 2007 12:58 pm

2 Replies

2255 Views

Last post by hbushubiao
Wed Dec 05, 2007 11:38 am

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