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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

6728 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

4647 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

5498 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

5293 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

4270 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

39927 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

3819 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

5237 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

3466 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

4548 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

15502 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

14757 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

5365 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

9935 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

3900 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

3762 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

12957 Views

Last post by admin
Wed Apr 01, 2015 10:10 am
Exit Code 9

Last post by ajeyvenkat091 « Mon Mar 23, 2015 5:54 pm
Replies: 4
by ajeyvenkat091 » Thu Mar 12, 2015 1:01 am

4 Replies

9231 Views

Last post by ajeyvenkat091
Mon Mar 23, 2015 5:54 pm
compileation error of version 5.3.5

Last post by walker11 « Fri Mar 20, 2015 10:51 am
Replies: 1
by jjhskang » Fri Jul 04, 2014 4:34 am

1 Replies

4287 Views

Last post by walker11
Fri Mar 20, 2015 10:51 am
Bugreport: Output format field widths are not set properly

Last post by admin « Thu Mar 19, 2015 12:05 pm
Replies: 1
by tomic » Wed Mar 18, 2015 4:45 pm

1 Replies

3394 Views

Last post by admin
Thu Mar 19, 2015 12:05 pm

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