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correlation.tmpl
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START HEADER
U: 8 CHI: 8 F: 3 3
END HEADER
START VERSION
1
END VERSION
START JASTROW
Title
title
Truncation order
3
START U TERM
Number of sets
1
START SET 1
Spherical harmonic l,m
0 0
Expansion order
{u_term}
Spin-dep params (0->uu=dd=ud; 1->uu=dd/=ud; 2->uu/=dd/=ud)
1
Cutoff (a.u.) ; Optimizable (0=NO; 1=YES)
3.d0 1
Parameter values ; Optimizable (0=NO; 1=YES)
END SET 1
END U TERM
START CHI TERM
Number of sets; labelling (1->atom in s cell; 2->atom in p cell; 3->species)
1
START SET 1
Spherical harmonic l,m
0 0
Number of atoms in set
1
Labels of the atoms in this set
1
Impose electron-nucleus cusp (0=NO; 1=YES)
0
Expansion order
{chi_term}
Spin-dep params (0->u=d; 1->u/=d)
0
Cutoff (a.u.) ; Optimizable (0=NO; 1=YES)
3.d0 1
Parameter values ; Optimizable (0=NO; 1=YES)
END SET 1
END CHI TERM
START F TERM
Number of sets; labelling (1->atom in s cell; 2->atom in p cell; 3->species)
1
START SET 1
Number of atoms in set
1
Labels of the atoms in this set
1
Prevent duplication of u term (0=NO; 1=YES)
0
Prevent duplication of chi term (0=NO; 1=YES)
0
Electron-nucleus expansion order
{f_term_1}
Electron-electron expansion order
{f_term_2}
Spin-dep params (0->uu=dd=ud; 1->uu=dd/=ud; 2->uu/=dd/=ud)
1
Cutoff (a.u.) ; Optimizable (0=NO; 1=YES)
3.d0 0
Parameter values ; Optimizable (0=NO; 1=YES)
END SET 1
END F TERM
END JASTROW