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vdW radius for Al element in DFT-D2 method of Grimme

Last post by admin « Thu Dec 01, 2011 1:34 pm
Replies: 1
by hundred » Wed Nov 30, 2011 7:36 pm

1 Replies

2652 Views

Last post by admin
Thu Dec 01, 2011 1:34 pm
vasp.5.2.12 forces with hybrid functionals

Last post by jacek « Mon Nov 28, 2011 8:07 pm
Replies: 2
by jacek » Mon Nov 14, 2011 8:17 pm

2 Replies

2966 Views

Last post by jacek
Mon Nov 28, 2011 8:07 pm
VASP calculation error

Last post by admin « Fri Nov 25, 2011 8:19 pm
Replies: 1
by pro_junjie » Wed Nov 16, 2011 7:05 pm

1 Replies

2785 Views

Last post by admin
Fri Nov 25, 2011 8:19 pm
Optical properties using VASP-5.2 (gamma-version)

Last post by admin « Fri Nov 25, 2011 3:12 pm
Replies: 1
by shaldar » Wed Nov 16, 2011 3:04 pm

1 Replies

5499 Views

Last post by admin
Fri Nov 25, 2011 3:12 pm
Projected DOS with PAW

Last post by sumy « Thu Nov 24, 2011 10:52 am
Replies: 3
by kuollut » Fri Dec 07, 2007 7:29 pm

3 Replies

4580 Views

Last post by sumy
Thu Nov 24, 2011 10:52 am
performance of vasp on BlueGene/P

Last post by alex « Mon Nov 21, 2011 5:59 pm
Replies: 1
by fulberto » Mon Nov 21, 2011 2:40 pm

1 Replies

2435 Views

Last post by alex
Mon Nov 21, 2011 5:59 pm
Parallel properties of vasp

Last post by TopolM « Fri Nov 18, 2011 1:59 pm
Replies: 2
by TopolM » Thu Nov 17, 2011 1:59 pm

2 Replies

2596 Views

Last post by TopolM
Fri Nov 18, 2011 1:59 pm
in vasp5.2， when increase the ENCUT , vasp failed!

Last post by admin « Mon Nov 14, 2011 2:55 pm
Replies: 1
by tomimy » Sun Nov 13, 2011 4:35 am

1 Replies

2610 Views

Last post by admin
Mon Nov 14, 2011 2:55 pm
Does the energy include the vdW correction energy?

Last post by kelum « Thu Nov 10, 2011 5:20 pm
Replies: 1
by mcandg03 » Wed Nov 09, 2011 9:47 pm

1 Replies

2687 Views

Last post by kelum
Thu Nov 10, 2011 5:20 pm
REAL_OPT: internal ERROR

Last post by admin « Fri Nov 04, 2011 2:26 pm
Replies: 1
by jcconesa » Fri Nov 04, 2011 12:08 pm

1 Replies

4904 Views

Last post by admin
Fri Nov 04, 2011 2:26 pm
Number of electrons during Density of States Calculations

Last post by Neutrino « Thu Nov 03, 2011 11:39 pm
Replies: 2
by Neutrino » Sat Oct 01, 2011 1:59 pm

2 Replies

3074 Views

Last post by Neutrino
Thu Nov 03, 2011 11:39 pm
Forces are wrong in vasp.5.2.11 compiled with ifort 12

Last post by jber « Tue Oct 18, 2011 12:33 pm
Replies: 8
by rrobles » Tue Jul 26, 2011 3:05 pm

8 Replies

6126 Views

Last post by jber
Tue Oct 18, 2011 12:33 pm
number of cells and number of vectors did not agree???

Last post by hess8 « Mon Oct 17, 2011 8:54 pm
Replies: 2
by wjfriend » Sun Sep 25, 2011 5:45 am

2 Replies

13304 Views

Last post by hess8
Mon Oct 17, 2011 8:54 pm
Spurious characters in forum posts with "code" delimiter

Last post by jber « Mon Oct 10, 2011 12:52 pm
Replies: 1
by jber » Sat Oct 08, 2011 3:34 pm

1 Replies

2187 Views

Last post by jber
Mon Oct 10, 2011 12:52 pm
Weird Energy difference in two runs, bug in LDA?

Last post by boris « Mon Sep 19, 2011 8:00 pm
Replies: 2
by jzzhao » Sat May 08, 2010 12:46 pm

2 Replies

2941 Views

Last post by boris
Mon Sep 19, 2011 8:00 pm
Starting NonCollinear NEB calculations

Last post by Neutrino « Fri Sep 16, 2011 6:21 pm
Replies: 2
by Neutrino » Thu Sep 15, 2011 1:39 am

2 Replies

3502 Views

Last post by Neutrino
Fri Sep 16, 2011 6:21 pm
VASP5.2.11 relaxation of defect structure cannot finish

Last post by admin « Fri Sep 16, 2011 5:05 pm
Replies: 8
by chorawut » Sun Jul 24, 2011 7:11 am

8 Replies

6019 Views

Last post by admin
Fri Sep 16, 2011 5:05 pm
Use Minkowski reduced unit cell

Last post by admin « Fri Sep 16, 2011 5:01 pm
Replies: 2
by legoses » Thu Sep 08, 2011 9:09 pm

2 Replies

2670 Views

Last post by admin
Fri Sep 16, 2011 5:01 pm
HF type parallel calculation fails with a large structure

Last post by admin « Fri Sep 16, 2011 4:52 pm
Replies: 2
by taizo » Wed Apr 27, 2011 4:39 pm

2 Replies

3010 Views

Last post by admin
Fri Sep 16, 2011 4:52 pm
report Bug in VASP5.2.12

Last post by chorawut « Thu Sep 01, 2011 2:07 pm
Replies: 4
by chorawut » Fri Aug 26, 2011 11:45 am

4 Replies

4260 Views

Last post by chorawut
Thu Sep 01, 2011 2:07 pm

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