Output exceeds the [size limit](command:workbench.action.openSettings?[). Open the full output data [in a text editor](command:workbench.action.openLargeOutput?5a840b1e-9464-4c8a-9de9-edd3e8f0f339)
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TypeError Traceback (most recent call last)
Cell In[1], line 20
18 mf = scf.KRHF(cell, kpts=kpts)
19 mf.chkfile = 'scf.chk'
---> 20 mf.kernel()
File <string>:2, in kernel(self, dm0, **kwargs)
File /usr/local/lib/python3.10/dist-packages/pyscf/scf/hf.py:1697, in SCF.scf(self, dm0, **kwargs)
1692 self.build(self.mol)
1694 if self.max_cycle > 0 or self.mo_coeff is None:
1695 self.converged, self.e_tot, \
1696 self.mo_energy, self.mo_coeff, self.mo_occ = \
-> 1697 kernel(self, self.conv_tol, self.conv_tol_grad,
1698 dm0=dm0, callback=self.callback,
1699 conv_check=self.conv_check, **kwargs)
1700 else:
1701 # Avoid to update SCF orbitals in the non-SCF initialization
1702 # (issue #495). But run regular SCF for initial guess if SCF was
1703 # not initialized.
1704 self.e_tot = kernel(self, self.conv_tol, self.conv_tol_grad,
1705 dm0=dm0, callback=self.callback,
1706 conv_check=self.conv_check, **kwargs)[1]
...
-> 1465 return scipy.linalg.solve(a, b, sym_pos=True)
1466 except numpy.linalg.LinAlgError:
1467 if strict_sym_pos:
TypeError: solve() got an unexpected keyword argument 'sym_pos'
Trying to run this code cell and getting this error below, any ideas? thanks