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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

2356 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

18654 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

8128 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

3240 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

2484 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

4952 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

2441 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

3400 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

2630 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

2660 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

2336 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

2168 Views

Last post by admin
Wed Oct 30, 2013 4:59 pm
EDWAV internal error in gamma-only HSE calculations

Last post by kayahan « Mon Oct 21, 2013 2:28 am
Replies: 3
by xamnidar » Mon Nov 05, 2012 7:30 pm

3 Replies

7343 Views

Last post by kayahan
Mon Oct 21, 2013 2:28 am
when I do structural optimization with high accuracy, I find the calculation is difficult to converg

Last post by ljzhang123 « Wed Oct 16, 2013 2:17 pm
Replies: 4
by ljzhang123 » Wed Oct 16, 2013 10:07 am

4 Replies

6596 Views

Last post by ljzhang123
Wed Oct 16, 2013 2:17 pm
this version requires full pseudpotential generation information

Last post by Jomber23 « Mon Sep 23, 2013 11:41 pm
Replies: 2
by Fm3m » Tue May 07, 2013 3:42 pm

2 Replies

4858 Views

Last post by Jomber23
Mon Sep 23, 2013 11:41 pm
Very long calculations.

Last post by GP « Mon Sep 23, 2013 6:31 pm
Replies: 2
by GP » Sat Sep 21, 2013 7:20 pm

2 Replies

3003 Views

Last post by GP
Mon Sep 23, 2013 6:31 pm
IBZKPT error - revised

Last post by Tong Lijia « Thu Sep 12, 2013 7:09 am
Replies: 12
by bth20 » Fri Oct 28, 2005 9:17 pm

12 Replies

37114 Views

Last post by Tong Lijia
Thu Sep 12, 2013 7:09 am
LORBIT=12: Bug, intended behavior, or my mistake?

Last post by admin « Mon Sep 09, 2013 1:50 pm
Replies: 2
by bmalone » Fri Aug 30, 2013 10:26 pm

2 Replies

2878 Views

Last post by admin
Mon Sep 09, 2013 1:50 pm
restarting vibrational calculation

Last post by admin « Mon Sep 02, 2013 2:08 pm
Replies: 1
by kmkumar » Sat Aug 31, 2013 3:10 pm

1 Replies

2176 Views

Last post by admin
Mon Sep 02, 2013 2:08 pm
Error in NEB calculations

Last post by admin « Thu Aug 29, 2013 10:54 am
Replies: 1
by KNG208 » Thu May 30, 2013 8:55 pm

1 Replies

3156 Views

Last post by admin
Thu Aug 29, 2013 10:54 am

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