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Calculation Not Converging

Last post by boris « Fri Nov 26, 2010 5:23 pm
Replies: 1
by kmkumar » Fri Nov 26, 2010 11:33 am

1 Replies

3900 Views

Last post by boris
Fri Nov 26, 2010 5:23 pm
Macroscopic polarization OUTCAR

Last post by happyer225 « Tue Nov 23, 2010 1:12 am
Replies: 2
by ynwu » Mon Aug 02, 2010 9:17 pm

2 Replies

3420 Views

Last post by happyer225
Tue Nov 23, 2010 1:12 am
Grimme van der Waals

Last post by yuxiao_zihan « Sun Nov 21, 2010 12:57 am
Replies: 6
by Lilia Woods » Mon Aug 23, 2010 4:09 pm

6 Replies

5646 Views

Last post by yuxiao_zihan
Sun Nov 21, 2010 12:57 am
NEB image ending up at end points

Last post by alex « Wed Nov 17, 2010 12:30 pm
Replies: 3
by esag » Tue Nov 16, 2010 10:23 pm

3 Replies

3280 Views

Last post by alex
Wed Nov 17, 2010 12:30 pm
vasp.5.2.2 - WARNING in EDDRMM: call to ZHEGV failed

Last post by fish « Thu Nov 11, 2010 11:08 pm
Replies: 6
by bademoor » Wed Sep 02, 2009 1:17 pm

6 Replies

10527 Views

Last post by fish
Thu Nov 11, 2010 11:08 pm
Judging insulating when using HSE06 functional

Last post by ynwu « Wed Nov 03, 2010 7:29 pm
Replies: 2
by ynwu » Thu Aug 12, 2010 9:23 pm

2 Replies

3416 Views

Last post by ynwu
Wed Nov 03, 2010 7:29 pm
vasp error

Last post by admin « Wed Nov 03, 2010 9:21 am
Replies: 1
by hannathamleena » Thu Oct 21, 2010 8:17 am

1 Replies

2187 Views

Last post by admin
Wed Nov 03, 2010 9:21 am
BRMIX: very serious problems the old and the new charge density differ old charge density

Last post by alex « Wed Nov 03, 2010 8:06 am
Replies: 4
by cajuan@criba.edu.ar » Thu Sep 02, 2010 8:36 pm

4 Replies

11877 Views

Last post by alex
Wed Nov 03, 2010 8:06 am
simulating stm tip

Last post by admin « Tue Nov 02, 2010 2:16 pm
Replies: 1
by hannathamleena » Wed Oct 06, 2010 3:48 am

1 Replies

2298 Views

Last post by admin
Tue Nov 02, 2010 2:16 pm
Atoms not counted in during calculation -

Last post by admin « Fri Oct 29, 2010 11:26 am
Replies: 1
by muthukumar2k3 » Tue Aug 31, 2010 2:35 pm

1 Replies

2027 Views

Last post by admin
Fri Oct 29, 2010 11:26 am
Bug in vdwforcefield.F

Last post by admin « Fri Oct 29, 2010 11:25 am
Replies: 1
by msd30 » Wed Sep 08, 2010 12:13 pm

1 Replies

2951 Views

Last post by admin
Fri Oct 29, 2010 11:25 am
Error in k-point sampling in G0W0 Calculations

Last post by admin « Fri Oct 29, 2010 11:22 am
Replies: 2
by ZachTexas » Mon Sep 20, 2010 6:00 pm

2 Replies

3857 Views

Last post by admin
Fri Oct 29, 2010 11:22 am
Strange problem with ISIF=3 and VASP 5.2

Last post by CStar « Tue Oct 19, 2010 12:34 pm
Replies: 2
by CStar » Mon Oct 18, 2010 6:19 pm

2 Replies

3173 Views

Last post by CStar
Tue Oct 19, 2010 12:34 pm
bandstructure of pyrochlores

Last post by vasp2010 « Tue Oct 19, 2010 8:06 am
Replies: 2
by vasp2010 » Mon Oct 18, 2010 3:24 pm

2 Replies

3205 Views

Last post by vasp2010
Tue Oct 19, 2010 8:06 am
problem of Non-collinear calculations and spin orbit coupling calculations

Last post by icmm « Wed Oct 13, 2010 8:45 am
Replies: 1
by icmm » Mon Oct 11, 2010 2:17 pm

1 Replies

3785 Views

Last post by icmm
Wed Oct 13, 2010 8:45 am
PBE0 cannot be used in vasp5.2?

Last post by Sonny « Wed Oct 13, 2010 7:38 am
Replies: 6
by yuanxun » Mon Aug 24, 2009 6:45 am

6 Replies

5529 Views

Last post by Sonny
Wed Oct 13, 2010 7:38 am
VASP 5.2 hybrid functionals

Last post by alex « Tue Oct 12, 2010 11:12 am
Replies: 4
by Sonny » Wed Oct 06, 2010 3:09 pm

4 Replies

3920 Views

Last post by alex
Tue Oct 12, 2010 11:12 am
WARNING:The distance between some ions is very small

Last post by vasp2010 « Wed Oct 06, 2010 12:03 pm
Replies: 2
by vasp2010 » Wed Oct 06, 2010 3:23 am

2 Replies

5253 Views

Last post by vasp2010
Wed Oct 06, 2010 12:03 pm
NBANDS-tag doesn't work.

Last post by fzcsydl « Sun Oct 03, 2010 11:40 pm
Replies: 2
by fzcsydl » Sun Oct 03, 2010 6:16 pm

2 Replies

2952 Views

Last post by fzcsydl
Sun Oct 03, 2010 11:40 pm
incorrect number of electrons in outcar with intel compiler

Last post by admin « Sun Sep 26, 2010 1:17 pm
Replies: 1
by cpp6f » Wed Sep 01, 2010 3:34 am

1 Replies

3364 Views

Last post by admin
Sun Sep 26, 2010 1:17 pm

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