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Problems in lanthanoid with 4f electrons in the valence

Last post by admin « Tue Mar 04, 2014 10:54 am
Replies: 1
by mamoru_sakaue » Tue Mar 04, 2014 10:01 am

1 Replies

7804 Views

Last post by admin
Tue Mar 04, 2014 10:54 am
About "ERROR FEXCP: supplied Exchange-correletion table is too small"

Last post by freshwind « Fri Feb 14, 2014 4:31 pm
Replies: 8
by ichthyornis » Thu Oct 13, 2005 5:23 am

8 Replies

47592 Views

Last post by freshwind
Fri Feb 14, 2014 4:31 pm
internal ERROR 2 in WDES_SET_NPRO: 1505632114 219

Last post by admin « Fri Feb 14, 2014 11:20 am
Replies: 1
by freshwind » Thu Jan 23, 2014 10:37 pm

1 Replies

4683 Views

Last post by admin
Fri Feb 14, 2014 11:20 am
Problem in understanding DOS [Patial DOS case]

Last post by admin « Fri Feb 14, 2014 11:14 am
Replies: 1
by Khaqan Shati » Wed Jan 22, 2014 9:03 am

1 Replies

4385 Views

Last post by admin
Fri Feb 14, 2014 11:14 am
problem on Sm potential

Last post by admin « Tue Feb 04, 2014 6:27 pm
Replies: 1
by wen » Sun Jan 19, 2014 8:46 am

1 Replies

4487 Views

Last post by admin
Tue Feb 04, 2014 6:27 pm
No Electronic Convergence for In_d PAW PBE dataset

Last post by admin « Tue Feb 04, 2014 6:22 pm
Replies: 1
by skasiraj » Wed Jan 22, 2014 8:43 am

1 Replies

5193 Views

Last post by admin
Tue Feb 04, 2014 6:22 pm
HSE03 stops. Gradient not orthogonal

Last post by hipertrofia « Tue Feb 04, 2014 3:05 pm
Replies: 2
by sponza » Wed Dec 04, 2013 5:24 pm

2 Replies

8616 Views

Last post by hipertrofia
Tue Feb 04, 2014 3:05 pm
NaN in self-consistent GW calculation

Last post by fme3535 « Mon Feb 03, 2014 5:11 pm
Replies: 1
by biklooost » Mon May 20, 2013 8:27 pm

1 Replies

5717 Views

Last post by fme3535
Mon Feb 03, 2014 5:11 pm
Issue with VASP TaskServers - Jobs not added in queue automatically

Last post by admin « Mon Feb 03, 2014 3:31 pm
Replies: 1
by dmmgiisc » Mon Feb 03, 2014 10:06 am

1 Replies

4693 Views

Last post by admin
Mon Feb 03, 2014 3:31 pm
VERY BAD NEWS! internal error in subroutineMKDMAT:

Last post by alex « Mon Feb 03, 2014 10:28 am
Replies: 1
by dekoning » Wed May 20, 2009 1:48 pm

1 Replies

5359 Views

Last post by alex
Mon Feb 03, 2014 10:28 am
Error EDDDAV: Call to ZHEGV failed on Ivy Bridge Xeon

Last post by paulfons « Thu Jan 30, 2014 7:30 am
Replies: 1
by paulfons » Thu Jan 30, 2014 6:06 am

1 Replies

11205 Views

Last post by paulfons
Thu Jan 30, 2014 7:30 am
Frequency calculation with ibrion=5

Last post by Ghorbanpour « Wed Jan 29, 2014 2:29 am
Replies: 2
by Ghorbanpour » Mon Jan 06, 2014 6:36 am

2 Replies

7546 Views

Last post by Ghorbanpour
Wed Jan 29, 2014 2:29 am
Gap in pristine graphene DOS

Last post by Lian « Thu Jan 23, 2014 4:46 pm
Replies: 2
by Lian » Tue Jan 14, 2014 7:24 pm

2 Replies

6355 Views

Last post by Lian
Thu Jan 23, 2014 4:46 pm
Spin polarised LOPTICS calculations

Last post by VaspPeer « Tue Jan 21, 2014 5:10 pm
Replies: 1
by VaspPeer » Tue Jan 14, 2014 4:23 pm

1 Replies

4867 Views

Last post by VaspPeer
Tue Jan 21, 2014 5:10 pm
VASP linear response problem keeps failing. Out of memory?

Last post by salina « Sat Jan 18, 2014 2:38 pm
Replies: 6
by bakkedal » Sat Nov 09, 2013 5:55 pm

6 Replies

11295 Views

Last post by salina
Sat Jan 18, 2014 2:38 pm
Diverged energy during DFPT calculation.

Last post by abalone « Wed Jan 15, 2014 3:00 pm
Replies: 1
by abalone » Sun Jan 12, 2014 3:04 pm

1 Replies

5094 Views

Last post by abalone
Wed Jan 15, 2014 3:00 pm
absence of f-electrons in Sm_3 PAW-PBE potential

Last post by psghosh « Wed Jan 15, 2014 11:56 am
Replies: 2
by psghosh » Wed Jan 15, 2014 11:37 am

2 Replies

6307 Views

Last post by psghosh
Wed Jan 15, 2014 11:56 am
VASP/WANNIER90 interface out of date

Last post by leoant « Thu Jan 09, 2014 9:34 pm
Replies: 4
by myliu » Sun Oct 27, 2013 4:48 pm

4 Replies

14391 Views

Last post by leoant
Thu Jan 09, 2014 9:34 pm
Problems with vdW-DFT

Last post by brockp « Tue Jan 07, 2014 10:29 pm
Replies: 8
by jmorale4 » Wed Feb 06, 2013 3:58 am

8 Replies

15529 Views

Last post by brockp
Tue Jan 07, 2014 10:29 pm
local QP operation err

Last post by kuang « Wed Dec 11, 2013 11:02 pm
Replies: 2
by kuang » Mon Dec 09, 2013 4:36 pm

2 Replies

7299 Views

Last post by kuang
Wed Dec 11, 2013 11:02 pm

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