Using VASP

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VASP performance issue

Last post by admin « Mon Oct 12, 2009 2:00 pm
Replies: 5
by prithwish » Sat Aug 22, 2009 10:31 am

5 Replies

6125 Views

Last post by admin
Mon Oct 12, 2009 2:00 pm
Projected Band Structure

Last post by admin « Mon Oct 12, 2009 1:49 pm
Replies: 3
by Eugene » Wed Aug 26, 2009 7:33 pm

3 Replies

8090 Views

Last post by admin
Mon Oct 12, 2009 1:49 pm
Shockley surface state of Ag(111)

Last post by admin « Mon Oct 12, 2009 1:30 pm
Replies: 1
by physicalattraction » Tue Sep 01, 2009 2:58 pm

1 Replies

3817 Views

Last post by admin
Mon Oct 12, 2009 1:30 pm
ISIF, box and ions relaxarion

Last post by admin « Mon Oct 12, 2009 1:14 pm
Replies: 3
by pmignon » Thu Jun 14, 2007 7:39 am

3 Replies

5829 Views

Last post by admin
Mon Oct 12, 2009 1:14 pm
accuracy for binding energy

Last post by admin « Mon Oct 12, 2009 12:56 pm
Replies: 1
by Isha » Fri Sep 11, 2009 12:23 pm

1 Replies

2990 Views

Last post by admin
Mon Oct 12, 2009 12:56 pm
How to output velocities at every time step?

Last post by admin « Mon Oct 12, 2009 12:30 pm
Replies: 1
by abalone » Wed Sep 16, 2009 4:02 pm

1 Replies

4613 Views

Last post by admin
Mon Oct 12, 2009 12:30 pm
How to calculate the binding energy of gas with odd electron (NO2) on graphene?

Last post by alex « Fri Sep 18, 2009 7:28 am
Replies: 9
by dinhloc1984 » Sat Sep 12, 2009 1:18 am

9 Replies

12172 Views

Last post by alex
Fri Sep 18, 2009 7:28 am
About the potentials of the pseudo-Hydrogen atoms!

Last post by crajesh « Fri Sep 18, 2009 5:17 am
Replies: 1
by cbFeng200881 » Thu Sep 17, 2009 5:18 am

1 Replies

4024 Views

Last post by crajesh
Fri Sep 18, 2009 5:17 am
Excited State in abinitio MD

Last post by aron « Wed Sep 16, 2009 3:58 pm
Replies: 1
by prithwish » Thu Sep 03, 2009 11:34 am

1 Replies

4262 Views

Last post by aron
Wed Sep 16, 2009 3:58 pm
VASP 5.2

Last post by xfh00 « Wed Sep 16, 2009 7:01 am
Replies: 1
by panda » Mon Jul 27, 2009 4:29 am

1 Replies

3315 Views

Last post by xfh00
Wed Sep 16, 2009 7:01 am
how to calculate electronic occupation of certain orbital in VASP?

Last post by boris « Mon Sep 14, 2009 4:30 pm
Replies: 6
by linglin » Mon Aug 31, 2009 5:32 am

6 Replies

10524 Views

Last post by boris
Mon Sep 14, 2009 4:30 pm
Contents of DOSCAR in noncollinear calculation?

Last post by bmeredig « Mon Sep 14, 2009 2:57 am
Replies: 2
by bmeredig » Fri Sep 11, 2009 9:57 pm

2 Replies

4713 Views

Last post by bmeredig
Mon Sep 14, 2009 2:57 am
VASP 5.2 band structure calculation error!!

Last post by panda « Sat Sep 12, 2009 11:54 pm
Replies: 3
by wcwang » Fri Sep 04, 2009 9:19 pm

3 Replies

5486 Views

Last post by panda
Sat Sep 12, 2009 11:54 pm
NEB convergence

Last post by alex « Thu Sep 10, 2009 8:06 am
Replies: 2
by mukul » Wed Aug 26, 2009 6:16 pm

2 Replies

4968 Views

Last post by alex
Thu Sep 10, 2009 8:06 am
Is it possible to obtain ion's charge state in VASP?

Last post by panda « Tue Sep 08, 2009 3:06 am
Replies: 5
by blazing » Wed Jul 01, 2009 10:48 am

5 Replies

7291 Views

Last post by panda
Tue Sep 08, 2009 3:06 am
How to solve the problem which is caused by inputing too many datas in many lines?

Last post by chenhw « Sun Sep 06, 2009 10:33 am
Replies: 2
by chenhw » Thu Sep 03, 2009 9:04 am

2 Replies

4349 Views

Last post by chenhw
Sun Sep 06, 2009 10:33 am
Updating wavefunctions in self-consistent GW

Last post by irene « Tue Sep 01, 2009 8:45 am
Replies: 1
by irene » Thu Jul 23, 2009 4:11 pm

1 Replies

5012 Views

Last post by irene
Tue Sep 01, 2009 8:45 am
questions on parametes in DOS analysis

Last post by panda « Mon Aug 31, 2009 7:39 pm
Replies: 2
by luke419 » Sun Aug 09, 2009 2:04 pm

2 Replies

4039 Views

Last post by panda
Mon Aug 31, 2009 7:39 pm
why incoherent DOS?

Last post by alex « Mon Aug 31, 2009 9:02 am
Replies: 3
by linglin » Sun Aug 30, 2009 8:26 am

3 Replies

4954 Views

Last post by alex
Mon Aug 31, 2009 9:02 am
Electric field and HOMO-LUMO gap questions....help

Last post by ccmin4 « Mon Aug 31, 2009 6:39 am
Replies: 4
by bendix » Fri Apr 25, 2008 6:32 am

4 Replies

7844 Views

Last post by ccmin4
Mon Aug 31, 2009 6:39 am

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