Using VASP

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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

6875 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

4772 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

3916 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

4113 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

4215 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

13083 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

8329 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

4261 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

4766 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

4902 Views

Last post by hbushubiao
Wed Dec 05, 2007 11:38 am
SCF error with Lu atom

Last post by mattis « Wed Dec 05, 2007 7:53 am
Replies: 2
by okuno » Tue Nov 14, 2006 2:01 am

2 Replies

5645 Views

Last post by mattis
Wed Dec 05, 2007 7:53 am
Cell Volume 0

Last post by TAT « Mon Dec 03, 2007 5:53 pm
Replies: 2
by TAT » Sun Dec 02, 2007 10:35 pm

2 Replies

6888 Views

Last post by TAT
Mon Dec 03, 2007 5:53 pm
IBZKPT file

Last post by Danny « Mon Dec 03, 2007 5:48 pm
Replies: 1
by jhlee » Mon Dec 03, 2007 5:34 am

1 Replies

3850 Views

Last post by Danny
Mon Dec 03, 2007 5:48 pm
DOS/PDOS for covalent systems

Last post by lcyin « Mon Dec 03, 2007 12:03 pm
Replies: 1
by pen2kin » Tue Nov 20, 2007 5:15 pm

1 Replies

4305 Views

Last post by lcyin
Mon Dec 03, 2007 12:03 pm
band decomposed density of degenerate orbitals

Last post by lcyin « Mon Dec 03, 2007 11:39 am
Replies: 2
by sf » Wed Nov 21, 2007 4:39 pm

2 Replies

5516 Views

Last post by lcyin
Mon Dec 03, 2007 11:39 am
Why is the calculated energy of hexagonal In2Se3 lattice not accurate ?

Last post by lcyin « Mon Dec 03, 2007 11:18 am
Replies: 1
by Jeffreyfox » Thu Nov 22, 2007 10:40 pm

1 Replies

4210 Views

Last post by lcyin
Mon Dec 03, 2007 11:18 am
About Spin-orbital coupling calculation

Last post by mperezjigato « Sat Dec 01, 2007 5:11 pm
Replies: 1
by admin » Tue Nov 23, 2004 1:31 pm

1 Replies

8939 Views

Last post by mperezjigato
Sat Dec 01, 2007 5:11 pm
Problem in optimization

Last post by admin « Fri Nov 30, 2007 9:25 am
Replies: 1
by weizz » Fri Nov 30, 2007 3:12 am

1 Replies

4604 Views

Last post by admin
Fri Nov 30, 2007 9:25 am
symmetry of the ground electronic state

Last post by admin « Tue Nov 27, 2007 2:44 pm
Replies: 1
by zlch5 » Mon Nov 26, 2007 10:48 pm

1 Replies

4525 Views

Last post by admin
Tue Nov 27, 2007 2:44 pm
Charge density in a certain energy range

Last post by admin « Mon Nov 26, 2007 10:38 am
Replies: 1
by jhlee » Sat Nov 24, 2007 11:00 pm

1 Replies

4670 Views

Last post by admin
Mon Nov 26, 2007 10:38 am

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