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core level from HSE06 and DFT+U

Last post by admin « Tue Oct 20, 2015 11:48 am
Replies: 3
by zhzeng » Mon Jan 31, 2011 11:23 am

3 Replies

6442 Views

Last post by admin
Tue Oct 20, 2015 11:48 am
Vasp+wannier90 band structure problem

Last post by magal « Tue Oct 20, 2015 11:47 am
Replies: 2
by magal » Mon Sep 28, 2015 12:18 pm

2 Replies

8150 Views

Last post by magal
Tue Oct 20, 2015 11:47 am
error during write

Last post by ljzhang123 « Fri Oct 16, 2015 4:11 am
Replies: 2
by ljzhang123 » Tue Oct 13, 2015 4:47 am

2 Replies

5379 Views

Last post by ljzhang123
Fri Oct 16, 2015 4:11 am
DFT+U for correct CO site preference on Cu

Last post by admin « Thu Oct 08, 2015 9:50 am
Replies: 4
by kpkuhl » Tue Feb 02, 2010 2:53 am

4 Replies

7063 Views

Last post by admin
Thu Oct 08, 2015 9:50 am
Download portal not working

Last post by admin « Thu Oct 01, 2015 11:07 am
Replies: 1
by Jochym » Wed Sep 30, 2015 10:25 am

1 Replies

4872 Views

Last post by admin
Thu Oct 01, 2015 11:07 am
Patch that implements D3 with three-body correction

Last post by ehermes « Tue Sep 22, 2015 1:38 pm
Replies: 2
by ehermes » Mon Sep 14, 2015 6:57 pm

2 Replies

5721 Views

Last post by ehermes
Tue Sep 22, 2015 1:38 pm
Total energy unreasonably different with parallel NPAR

Last post by alex « Thu Sep 17, 2015 10:14 am
Replies: 3
by GangBi » Mon Sep 14, 2015 9:23 am

3 Replies

5678 Views

Last post by alex
Thu Sep 17, 2015 10:14 am
Error with HSE06 and ALGO=Damped

Last post by sunncepu « Wed Aug 12, 2015 8:59 am
Replies: 1
by sunncepu » Sun Jul 12, 2015 4:26 am

1 Replies

4477 Views

Last post by sunncepu
Wed Aug 12, 2015 8:59 am
vasp 5.4.1 fails on running

Last post by ehermes « Wed Jul 29, 2015 3:17 pm
Replies: 4
by nitinkr » Wed Jul 22, 2015 11:02 pm

4 Replies

40206 Views

Last post by ehermes
Wed Jul 29, 2015 3:17 pm
Cr_sv potentail bug

Last post by admin « Tue Jul 28, 2015 9:24 am
Replies: 1
by klwang » Mon Jul 27, 2015 4:00 pm

1 Replies

4004 Views

Last post by admin
Tue Jul 28, 2015 9:24 am
problem in dielectric constant calc using hybrid functional

Last post by admin « Wed Jul 08, 2015 12:56 pm
Replies: 1
by jcconesa » Wed Jul 08, 2015 9:11 am

1 Replies

5476 Views

Last post by admin
Wed Jul 08, 2015 12:56 pm
Vasp 5.4.1 parenthesis error in vdwforcefield.F

Last post by admin « Wed Jul 08, 2015 11:37 am
Replies: 1
by pafell » Mon Jul 06, 2015 1:16 pm

1 Replies

3681 Views

Last post by admin
Wed Jul 08, 2015 11:37 am
LNONCOLLINEAR Error reading MAGMOM

Last post by admin « Tue Jul 07, 2015 1:24 pm
Replies: 1
by saidah » Mon Jul 06, 2015 11:33 am

1 Replies

4759 Views

Last post by admin
Tue Jul 07, 2015 1:24 pm
interface with wannier90 + spin-orbit coupling

Last post by admin « Mon Jun 22, 2015 2:37 pm
Replies: 6
by cantele » Wed Apr 29, 2015 10:12 am

6 Replies

15901 Views

Last post by admin
Mon Jun 22, 2015 2:37 pm
ISTART=2 plane wave coefficients changed error

Last post by avdw « Fri Jun 19, 2015 3:22 pm
Replies: 7
by bernstei » Mon Oct 18, 2010 6:35 pm

7 Replies

15236 Views

Last post by avdw
Fri Jun 19, 2015 3:22 pm
D3 correction: VDW-parameter VDW_S8=0 not accepted

Last post by kelum « Tue Jun 16, 2015 6:53 pm
Replies: 1
by beck » Mon Jun 15, 2015 1:26 pm

1 Replies

5599 Views

Last post by kelum
Tue Jun 16, 2015 6:53 pm
forrtl: error (78): process killed (SIGTERM)

Last post by compu_nano « Tue May 19, 2015 8:14 am
Replies: 1
by compu_nano » Fri May 15, 2015 1:49 pm

1 Replies

10141 Views

Last post by compu_nano
Tue May 19, 2015 8:14 am
Running stops at "entering the main loop"

Last post by admin « Fri Apr 10, 2015 11:28 am
Replies: 1
by Mohsen » Fri Mar 20, 2015 9:40 pm

1 Replies

4095 Views

Last post by admin
Fri Apr 10, 2015 11:28 am
Ce diffusing in Na MD calculation, hard to converge

Last post by Neutrino « Fri Apr 03, 2015 4:18 pm
Replies: 1
by XiangLi » Fri Mar 27, 2015 3:07 am

1 Replies

3976 Views

Last post by Neutrino
Fri Apr 03, 2015 4:18 pm
B3LYP and parallelization problem/potential bug

Last post by admin « Wed Apr 01, 2015 10:10 am
Replies: 15
by andydihao » Tue Mar 24, 2015 1:45 pm
1

2
15 Replies

14098 Views

Last post by admin
Wed Apr 01, 2015 10:10 am

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