[ase-users] ASE error in VASP calculations

[Veenu Mehta]

Respected Sir/Mam:
I have successfully installed ASE-python-2.7 in my system. but whenever I
run the vasp calculations for example files then I always obtain the error
as:
ython vasp_Al_volrelax.py
Looking for potpaw/Al/POTCAR
                The pseudopotentials are expected to be in:
                LDA:  /home/mehta/VASP/potpaw/
                PBE:  /home/mehta/VASP/potpaw_PBE/
                PW91: /home/mehta/VASP/potpaw_GGA/
Traceback (most recent call last):
  File "vasp_Al_volrelax.py", line 66, in <module>
    Al_vasp = vasp_vol_relax()
  File "vasp_Al_volrelax.py", line 25, in vasp_vol_relax
    calc.calculate(Al)
  File
"/home/mehta/.local/lib/python2.7/site-packages/ase/calculators/vasp/vasp.py",
line 100, in calculate
    self.initialize(atoms)
  File
"/home/mehta/.local/lib/python2.7/site-packages/ase/calculators/vasp/create_input.py",
line 1107, in initialize
    raise RuntimeError('No pseudopotential for %s!' % symbol)
RuntimeError: No pseudopotential for Al!
Kinldy resolve the issue.
Thank you

-- 

*With Regards,Veenu Mehta*
*Assistant Professor*
*Dept. of Physics,*
*Govt. College, Hisar*

*Research Scholar*
*Department of Physics*
*GJUS&T, Hisar*
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