added example_convert_pyscf_ezfio.sh

src/utils_complex/example_convert_pyscf_ezfio.sh

@@ -0,0 +1,18 @@
+#!/bin/bash
+
+ezfio_name=h2_cc-pvdz
+cat <<EOF > convert.py
+#!/usr/bin/env python
+from pyscf import gto, scf
+mol = gto.M(atom='H 0 0 0; H 0 0 1.2', basis='ccpvdz')
+mf = scf.RHF(mol)
+mf.kernel()
+
+import importlib
+import MolPyscfToQPkpts
+from MolPyscfToQPkpts import *
+pyscf2QP2_mol(mf)
+EOF
+python convert.py 
+mv qpdat.h5  $ezfio_name.h5
+qp_convert_h5_to_ezfio ${ezfio_name}.h5