excitons wave plot 'Segmentation fault'
Posted: Thu May 09, 2013 8:19 am
Dear all,
I want to plot the excitonic wave-function, But I am getting the error "Segmentation fault''. I post the report file of my BSE calculation.
------------------------------------------------------------------------------------------------------------------------------------
<---> [01] Y(ambo) P(ost)/(re) P(rocessor)
<---> [02] Core DB
<---> :: Electrons : 16.00000
<---> :: Temperature [ev]: 0.000000
<---> :: Lattice factors [a.u.]: 4.68930 4.06105 43.82167
<---> :: K points : 73
<---> :: Bands : 100
<---> :: Symmetries : 4
<---> :: RL vectors : 45843
<---> [03] K-point grid
<---> :: Q-points (IBZ): 73
<---> :: X K-points (IBZ): 73
<---> [04] CORE Variables Setup
<---> [04.01] Unit cells
<---> [04.02] Symmetries
<---> [04.03] RL shells
<---> [04.04] K-grid lattice
<---> [04.05] Energies [ev] & Occupations
<---> [05] Excitonic Properties
<---> [M 1.536 Gb] Alloc BS_mat ( 1.531)
<11s> :: Sorting energies
<11s> [FFT-EXCWF] Mesh size: 7 7 57
<11s> [WF-EXCWF loader] Wfs (re)loading | | [000%] --(E) --( <15s> [WF-EXCWF loader] Wfs (re)loading |####################| [100%] 03s(E) 03s(X)
<15s> [05.01] Excitonic Wave Function
<15s> [05.01.01] Real-Space grid setup
<15s> :: Extended grid : 77 77 57
<15s> :: Hole position in the DL cell [cc]: 0.00 0.00 0.00
<15s> :: position in the FFT grid [cc]: 0.00 0.00 0.00
<15s> :: translated position [cc]: 11.72325 20.30526 0.00000
<15s> :: [A]: 6.20368 10.74508 0.00000
<15s> Processing 1 states
<15s> ExcWF@1 | | [000%] --(E) --(X)Segmentation fault
----------------------------------------------------------------------------------------------------------------------------------
Also, I download the last version from SVN ''http://www.yambo-code.org/download.php''.
I want to plot the excitonic wave-function, But I am getting the error "Segmentation fault''. I post the report file of my BSE calculation.
------------------------------------------------------------------------------------------------------------------------------------
<---> [01] Y(ambo) P(ost)/(re) P(rocessor)
<---> [02] Core DB
<---> :: Electrons : 16.00000
<---> :: Temperature [ev]: 0.000000
<---> :: Lattice factors [a.u.]: 4.68930 4.06105 43.82167
<---> :: K points : 73
<---> :: Bands : 100
<---> :: Symmetries : 4
<---> :: RL vectors : 45843
<---> [03] K-point grid
<---> :: Q-points (IBZ): 73
<---> :: X K-points (IBZ): 73
<---> [04] CORE Variables Setup
<---> [04.01] Unit cells
<---> [04.02] Symmetries
<---> [04.03] RL shells
<---> [04.04] K-grid lattice
<---> [04.05] Energies [ev] & Occupations
<---> [05] Excitonic Properties
<---> [M 1.536 Gb] Alloc BS_mat ( 1.531)
<11s> :: Sorting energies
<11s> [FFT-EXCWF] Mesh size: 7 7 57
<11s> [WF-EXCWF loader] Wfs (re)loading | | [000%] --(E) --( <15s> [WF-EXCWF loader] Wfs (re)loading |####################| [100%] 03s(E) 03s(X)
<15s> [05.01] Excitonic Wave Function
<15s> [05.01.01] Real-Space grid setup
<15s> :: Extended grid : 77 77 57
<15s> :: Hole position in the DL cell [cc]: 0.00 0.00 0.00
<15s> :: position in the FFT grid [cc]: 0.00 0.00 0.00
<15s> :: translated position [cc]: 11.72325 20.30526 0.00000
<15s> :: [A]: 6.20368 10.74508 0.00000
<15s> Processing 1 states
<15s> ExcWF@1 | | [000%] --(E) --(X)Segmentation fault
----------------------------------------------------------------------------------------------------------------------------------
Also, I download the last version from SVN ''http://www.yambo-code.org/download.php''.