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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

4721 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

10998 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

4915 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

6148 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VASP/WANNIER90 interface out of date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

14021 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

15221 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

7076 Views

Last post by kuang
Wed Dec 11, 2013 11:02 pm
Error message when runing VASP on more than one node

Last post by sxy « Mon Dec 09, 2013 3:57 am
Replies: 9
by berni_k86 » Tue Feb 19, 2013 3:32 pm

9 Replies

15676 Views

Last post by sxy
Mon Dec 09, 2013 3:57 am
Hybrid functional calculation - segmentation fault

Last post by VBolnykh « Sun Dec 08, 2013 7:56 pm
Replies: 1
by VBolnykh » Sun Dec 08, 2013 10:25 am

1 Replies

4506 Views

Last post by VBolnykh
Sun Dec 08, 2013 7:56 pm
non-collinear: "LAPACK: Routine ZPOTRF failed!"

Last post by WJoost « Sun Dec 01, 2013 8:12 pm
Replies: 9
by lahaye » Fri Nov 24, 2006 11:50 pm

9 Replies

26183 Views

Last post by WJoost
Sun Dec 01, 2013 8:12 pm
error No initial positions read in

Last post by alex « Tue Nov 26, 2013 1:01 pm
Replies: 5
by nguyen » Mon Nov 25, 2013 7:23 pm

5 Replies

12420 Views

Last post by alex
Tue Nov 26, 2013 1:01 pm
errors in LOCPOT?

Last post by t.ossowski « Mon Nov 25, 2013 12:16 pm
Replies: 2
by t.ossowski » Wed Nov 13, 2013 10:35 am

2 Replies

5894 Views

Last post by t.ossowski
Mon Nov 25, 2013 12:16 pm
ELFCAR incomplete

Last post by mforti « Thu Nov 21, 2013 4:47 pm
Replies: 2
by duncand » Wed Sep 11, 2013 12:25 am

2 Replies

5075 Views

Last post by mforti
Thu Nov 21, 2013 4:47 pm
Exit Code 59

Last post by admin « Tue Nov 12, 2013 11:55 am
Replies: 3
by ajeyvenkat091 » Fri Nov 01, 2013 10:58 pm

3 Replies

8512 Views

Last post by admin
Tue Nov 12, 2013 11:55 am
Energy jump in relaxation of PbS supercell containing one vacancy

Last post by admin « Thu Nov 07, 2013 11:11 am
Replies: 1
by murphy » Wed Nov 06, 2013 5:33 pm

1 Replies

4736 Views

Last post by admin
Thu Nov 07, 2013 11:11 am
energy rose up in a re-do calculation

Last post by murphy « Wed Nov 06, 2013 5:02 pm
Replies: 4
by murphy » Tue Sep 24, 2013 11:41 am

4 Replies

6875 Views

Last post by murphy
Wed Nov 06, 2013 5:02 pm
Problem with a DGEGV parameter

Last post by annmattsson « Thu Oct 31, 2013 7:26 pm
Replies: 2
by smarocchi » Tue May 21, 2013 7:34 pm

2 Replies

5343 Views

Last post by annmattsson
Thu Oct 31, 2013 7:26 pm
Format of WAVECAR for spin-orbit coupling calculations

Last post by admin « Thu Oct 31, 2013 5:39 pm
Replies: 1
by jptrinastic » Thu Oct 31, 2013 4:42 pm

1 Replies

4965 Views

Last post by admin
Thu Oct 31, 2013 5:39 pm
Bandgap problems of bulk GaAs with G0W0 calculation

Last post by admin « Thu Oct 31, 2013 1:18 pm
Replies: 1
by Ken-Ming Lin » Thu Oct 31, 2013 3:24 am

1 Replies

4641 Views

Last post by admin
Thu Oct 31, 2013 1:18 pm
Not writing all the atom species in the OUTCAR

Last post by admin « Wed Oct 30, 2013 4:59 pm
Replies: 1
by l.bellarosa » Mon Oct 28, 2013 12:52 pm

1 Replies

4216 Views

Last post by admin
Wed Oct 30, 2013 4:59 pm

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