[gpaw-users] gw syntax error

[Vito Versace]

Dear all, 
The problem is now solved. As Falco mentioned, there should be a comma after hilbert_trans=false .
I have now another problem : how can i now use a hybrid functional ?       If i use this :    xc='PBE0' instead of LDA 
I have bunch of errors : ---------------------------------------------------------------------------------------------------------------------------------------------------------Traceback (most recent call last):  File "gw_method.py", line 29, in <module>    atoms.get_potential_energy()  File "/home/vito/.local/lib/python2.6/site-packages/ase/atoms.py", line 643, in get_potential_energy    return self._calc.get_potential_energy(self)  File "/home/vito/gpaw-0.10.0.11364/gpaw/aseinterface.py", line 38, in get_potential_energy    self.calculate(atoms, converge=True)  File "/home/vito/gpaw-0.10.0.11364/gpaw/paw.py", line 223, in calculate    self.initialize(atoms)  File "/home/vito/gpaw-0.10.0.11364/gpaw/paw.py", line 739, in initialize    self.occupations)  File "/home/vito/gpaw-0.10.0.11364/gpaw/xc/hybrid.py", line 93, in initialize    assert wfs.gammaAssertionError------------------------------------------------------------------------------------------------------------------------------------------------------------

Do i have to generate my own hybrid PBE0 gpaw_setup ?
Best wishesVito 

     On Monday, November 24, 2014 11:09 PM, Vito Versace <vitoversace at yahoo.com> wrote:
   

 Dear, 
The problem is now solved. As Falco mentioned, there should be a comma after hilbert_trans=false .
I have now another problem : how can i now use a hybrid functional ?       If i use this :    xc='PBE0' instead of LDA 
I have bunch of errors : ---------------------------------------------------------------------------------------------------------------------------------------------------------Traceback (most recent call last):  File "gw_method.py", line 29, in <module>    atoms.get_potential_energy()  File "/home/vito/.local/lib/python2.6/site-packages/ase/atoms.py", line 643, in get_potential_energy    return self._calc.get_potential_energy(self)  File "/home/vito/gpaw-0.10.0.11364/gpaw/aseinterface.py", line 38, in get_potential_energy    self.calculate(atoms, converge=True)  File "/home/vito/gpaw-0.10.0.11364/gpaw/paw.py", line 223, in calculate    self.initialize(atoms)  File "/home/vito/gpaw-0.10.0.11364/gpaw/paw.py", line 739, in initialize    self.occupations)  File "/home/vito/gpaw-0.10.0.11364/gpaw/xc/hybrid.py", line 93, in initialize    assert wfs.gammaAssertionError------------------------------------------------------------------------------------------------------------------------------------------------------------ 
Do i have to generate my own hybrid PBE0 gpaw_setup ?By the way i am using the latest version of gpaw  0.10
Best wishesVito



 

     On Monday, November 24, 2014 8:51 PM, Filip Anselm Rasmussen <fras at fysik.dtu.dk> wrote:
   

  Hi again Vito,
 
 On line 45 after txt=... you have a comma. There should be no comma after the last parameter.
 For another time also please reply to the original mail thread - in that way it is easier for everyone to follow up on the question :)
 
 - Filip
 
 
 Den 24-11-2014 18:06, Vito Versace skrev:
  
 
 Dear all,  
  Please find attached my input file. I do not have any output file unless the error syntax. 
  Best wishes Vito  
  
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