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Segmentation fault (core dumped) BSE calculation of Anthracene crystal with this error	by: nejati (guest) 15 Apr 2014 05:50	14	by nejati (guest) 27 Jun 2014 09:44 Jump!
ElaStic: ValueError: could not convert string to float	by: Mutlu Colakogullari (guest) 28 May 2014 19:47	2	by Mutlu Colakogullari (guest) 29 May 2014 22:05 Jump!
Optical properties problem The output for the optical properties are the same for fxctype= RPA & ALDA	by: kfair 07 May 2014 05:44	6	by Caterina Cocchi 13 May 2014 07:41 Jump!
sgroup computing incorrect space group or translation from cif to xml error?	by: materials1 (guest) 21 Apr 2014 20:18	1
Build fails on AIX 5.3	by: Pavel Ondračka (guest) 26 Mar 2014 12:50	1
band to band transitions from TDDFT How do I set input file to calculate band to band transitions in xs element?	by: nejati (guest) 17 Mar 2014 07:40	4	by nejati (guest) 23 Mar 2014 07:52 Jump!
non-standard format-pretty-print in FoX	by: Marcin (guest) 21 Feb 2014 19:11	5	by PasqualePavone 03 Mar 2014 11:17 Jump!
Compiling Problem on OS X Mavericks and phonons question When compiling beryllium on Mac 10.9 I get a segmentation fault that I can't seem to solve. Also - a phonon question.	by: JAJ (guest) 17 Dec 2013 06:47	5	by Geetha Gopakumar 28 Feb 2014 10:52 Jump!
Compilation Error	by: vitoversace 01 Dec 2013 03:13	8	by Marcin (guest) 26 Feb 2014 08:23 Jump!
Dielectric and Loss functions curves of both BSE and TDDFT calculations are direct line!	by: Nejati (guest) 16 Feb 2014 06:50	8	by Nejati (guest) 21 Feb 2014 19:17 Jump!
How to set input.xml for a non symmetric dielectric tensor calculation in a TDDFT or BSE	by: Nejati (guest) 13 Feb 2014 17:53	4	by Nejati (guest) 14 Feb 2014 20:51 Jump!
badly large gap in the BSE perform of cubic BN	by: nejati (guest) 08 Feb 2014 19:19	3	by nejati (guest) 13 Feb 2014 17:36 Jump!
line 31, in <module> from lxml import etree as ET ImportError: No module named lxml	by: VICTOIR (guest) 17 Sep 2013 19:06	4	by victoir (guest) 13 Feb 2014 15:22 Jump!
Mixing site occupancies How to set up atomic statistical mixtures correctly without using supercell?	by: Pavlo (guest) 31 Jan 2014 12:08	1
Problem with TDDFT calculations Testing a simple system (LiF) ground state calculation finishes in less than a minute, XS calculation continues past 12 hours.	by: Robert N 13 Jan 2014 17:58	9	by Robert N 28 Jan 2014 21:03 Jump!
excited state of LiF using BSE is running after 4 days I am testing a rather simple system (LiF) in the BSE calculation of optical properties. The ground state calculation wraps up quickly in less than a minute; however, the XS-BSE calculation seems to continue on. I suspect something is wrong and this calculation will never finish, because it is running after 4 days! Any ideas on what may cause this? Any ideas on what may cause this?	by: Nejati 18 Jan 2014 10:33	4	by srigamonti 28 Jan 2014 10:58 Jump!
I try to make the LDOS for MnFe bcc.	by: Salvador Meza Aguilar (guest) 16 Dec 2013 17:42	3	by Salvador Meza Aguilar (guest) 27 Jan 2014 17:30 Jump!
Parser ERROR: The basis element must contain at least 1 default element	by: Michael Wainberg 28 Dec 2013 05:16	7	by PasqualePavone 25 Jan 2014 10:51 Jump!
insufficient virtual memory Please help me for what is error	by: Nejati 20 Jan 2014 12:07	3	by Nejati 20 Jan 2014 17:00 Jump!
QE-SETUP-elastic-strain.sh doesn't work for the example provided on Lecture Regensburg	by: vincent (guest) 30 Oct 2013 02:21	5	by PasqualePavone 20 Jan 2014 12:48 Jump!

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