Using VASP

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question about PBE in vasp.4.6 and vasp.4.4

Last post by admin « Wed Oct 14, 2009 7:54 am
Replies: 1
by wenxuan » Tue Oct 13, 2009 12:52 am

1 Replies

2826 Views

Last post by admin
Wed Oct 14, 2009 7:54 am
calculation of binding energy

Last post by admin « Mon Oct 12, 2009 3:25 pm
Replies: 1
by Isha » Wed Apr 01, 2009 7:27 am

1 Replies

3087 Views

Last post by admin
Mon Oct 12, 2009 3:25 pm
Restarting jobs from CHGCAR failing

Last post by admin « Mon Oct 12, 2009 3:15 pm
Replies: 3
by boris » Mon Aug 10, 2009 8:35 pm

3 Replies

5372 Views

Last post by admin
Mon Oct 12, 2009 3:15 pm
Running DOS calculations a single k-point at a time.

Last post by admin « Mon Oct 12, 2009 3:10 pm
Replies: 1
by camilo » Tue Aug 11, 2009 9:13 pm

1 Replies

3034 Views

Last post by admin
Mon Oct 12, 2009 3:10 pm
How to Decompose Bands

Last post by admin « Mon Oct 12, 2009 3:01 pm
Replies: 1
by twg01 » Tue Aug 18, 2009 5:46 am

1 Replies

2663 Views

Last post by admin
Mon Oct 12, 2009 3:01 pm
Slow forum

Last post by admin « Mon Oct 12, 2009 2:21 pm
Replies: 3
by physicalattraction » Fri Aug 14, 2009 9:40 am

3 Replies

4053 Views

Last post by admin
Mon Oct 12, 2009 2:21 pm
optimal mixing tag values

Last post by admin « Mon Oct 12, 2009 2:06 pm
Replies: 1
by tholme » Thu Aug 27, 2009 4:19 pm

1 Replies

2907 Views

Last post by admin
Mon Oct 12, 2009 2:06 pm
how to calculate the internal energy at 0 pressure

Last post by admin « Mon Oct 12, 2009 2:03 pm
Replies: 1
by lqzhang » Fri Aug 28, 2009 3:01 am

1 Replies

2976 Views

Last post by admin
Mon Oct 12, 2009 2:03 pm
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

5585 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

7135 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

3491 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

5299 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

2710 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

4251 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

11029 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

3663 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

3995 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

3065 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

9567 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

4380 Views

Last post by bmeredig
Mon Sep 14, 2009 2:57 am

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