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Dispersion corrected total energy of supercell is not scaling correctly for Cu surface (VASP 5.2.12)

Last post by dsawei « Wed Feb 22, 2012 10:42 pm
Replies: 4
by dsawei » Thu Feb 16, 2012 11:47 pm

4 Replies

7652 Views

Last post by dsawei
Wed Feb 22, 2012 10:42 pm
Ionic relaxation problem (VASP 5.2.11)

Last post by asaduzza « Thu Feb 16, 2012 7:05 pm
Replies: 9
by superyoyo » Thu Feb 24, 2011 8:56 am

9 Replies

20520 Views

Last post by asaduzza
Thu Feb 16, 2012 7:05 pm
Error EDDDAV: Call to ZHEGV failed. Returncode = 25 2 8

Last post by mafarhan « Tue Jan 31, 2012 5:09 am
Replies: 1
by rashmi » Thu Jun 16, 2011 8:56 am

1 Replies

5233 Views

Last post by mafarhan
Tue Jan 31, 2012 5:09 am
Relaxation issue with vasp5.2.11 and 5.2.12 compiled with Intel v.12

Last post by admin « Fri Jan 20, 2012 11:34 am
Replies: 1
by Vahid Askarpour » Thu Dec 15, 2011 7:18 pm

1 Replies

4033 Views

Last post by admin
Fri Jan 20, 2012 11:34 am
Stucked problem on B3LYP calculation

Last post by admin « Fri Jan 20, 2012 11:22 am
Replies: 1
by Lee » Mon Jan 09, 2012 10:37 am

1 Replies

4324 Views

Last post by admin
Fri Jan 20, 2012 11:22 am
Energy differences among different unit cells of the same structure

Last post by alex « Fri Jan 20, 2012 10:07 am
Replies: 4
by Fm3m » Tue Jan 17, 2012 11:15 pm

4 Replies

5973 Views

Last post by alex
Fri Jan 20, 2012 10:07 am
HSE magnetic calculations problem

Last post by husl « Fri Jan 06, 2012 2:34 pm
Replies: 4
by husl » Tue Jan 03, 2012 10:33 am

4 Replies

8296 Views

Last post by husl
Fri Jan 06, 2012 2:34 pm
Parallelization issue

Last post by westover « Wed Dec 28, 2011 11:45 am
Replies: 3
by westover » Tue Dec 27, 2011 5:46 am

3 Replies

5176 Views

Last post by westover
Wed Dec 28, 2011 11:45 am
Rashba effect in VASP

Last post by admin « Thu Dec 22, 2011 3:32 pm
Replies: 1
by spinkaust » Mon Dec 19, 2011 4:55 pm

1 Replies

4604 Views

Last post by admin
Thu Dec 22, 2011 3:32 pm
selective dynamic switchs not working

Last post by admin « Fri Dec 16, 2011 12:00 pm
Replies: 1
by mgrumski » Fri Dec 16, 2011 3:15 am

1 Replies

3536 Views

Last post by admin
Fri Dec 16, 2011 12:00 pm
internal error in subroutine PRICEL

Last post by admin « Fri Dec 02, 2011 5:25 pm
Replies: 3
by tjiang7 » Tue Feb 08, 2011 3:12 pm

3 Replies

8126 Views

Last post by admin
Fri Dec 02, 2011 5:25 pm
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

4416 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

5108 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

4468 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

7535 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

8003 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

4467 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

5210 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

5018 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

5071 Views

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

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