Commit 24ac1b5a authored by Andrew Emerson's avatar Andrew Emerson
Browse files

QE water test case

parent c47fffbf
<PP_INFO>
Generated using unknown code
Author: unknown Generation date: as well
Info: automatically converted from CPMD format
0 The Pseudo was generated with a Non-Relativistic Calculation
0.00000000000E+00 Local Potential cutoff radius
nl pn l occ Rcut Rcut US E pseu
1S 0 0 1.00 0.00000000000 0.00000000000 0.00000000000
</PP_INFO>
<PP_HEADER>
0 Version Number
H Element
NC Norm - Conserving pseudopotential
F Nonlinear Core Correction
BLYP Exchange-Correlation functional
1.00000000000 Z valence
0.00000000000 Total energy
0.0000000 0.0000000 Suggested cutoff for wfc and rho
0 Max angular momentum component
809 Number of points in mesh
1 0 Number of Wavefunctions, Number of Projectors
Wavefunctions nl l occ
1S 0 1.00
</PP_HEADER>
<PP_MESH>
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