Using VASP

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Fermi energy shift upon change of k-mesh

Last post by physicalattraction « Tue Oct 27, 2009 4:00 pm
Replies: 19
by physicalattraction » Tue Oct 13, 2009 11:48 am
1

2
19 Replies

8193 Views

Last post by physicalattraction
Tue Oct 27, 2009 4:00 pm
GGA+U correction of Si bandgap: contradictions with literature's U and J values. why?

Last post by blazing « Wed Oct 21, 2009 3:41 pm
Replies: 2
by blazing » Wed Oct 21, 2009 1:05 pm

2 Replies

4232 Views

Last post by blazing
Wed Oct 21, 2009 3:41 pm
Some AFM states converge to wrong magnetic states.

Last post by SangLee « Wed Oct 21, 2009 3:33 am
Replies: 2
by SangLee » Wed Aug 26, 2009 1:31 pm

2 Replies

1878 Views

Last post by SangLee
Wed Oct 21, 2009 3:33 am
MD with electric field

Last post by sim « Tue Oct 20, 2009 1:12 am
Replies: 1
by kca002 » Thu May 03, 2007 8:32 pm

1 Replies

1691 Views

Last post by sim
Tue Oct 20, 2009 1:12 am
about PARCHG

Last post by forsdan « Sun Oct 18, 2009 8:23 am
Replies: 3
by bossten » Mon Jul 04, 2005 4:10 am

3 Replies

4443 Views

Last post by forsdan
Sun Oct 18, 2009 8:23 am
About the optimization of Nanotube

Last post by sri123 « Wed Oct 14, 2009 9:50 am
Replies: 2
by lanjh » Wed Dec 20, 2006 2:51 am

2 Replies

2051 Views

Last post by sri123
Wed Oct 14, 2009 9:50 am
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

1337 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

1386 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

2634 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

1352 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

1176 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

1778 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

1268 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

1327 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

2679 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

4299 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

1891 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

2938 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

1162 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

1855 Views

Last post by admin
Mon Oct 12, 2009 12:30 pm

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