feat(qe): Add support for ibrav > 1 in Quantum Espresso SCF parser

[Copilot]

This PR resolves the long-standing limitation where dpdata would raise RuntimeError("ibrav > 1 not supported yet.") when parsing Quantum Espresso SCF files with Bravais lattice types other than simple cubic (ibrav=1) or free lattice (ibrav=0).

Problem

Users encountered errors when trying to load QE files with common lattice types like:

import dpdata
dataset = dpdata.LabeledSystem('./scf0.out', fmt='qe/pw/scf')
# RuntimeError: ibrav > 1 not supported yet.

This occurred for any ibrav value > 1, including commonly used types like ibrav=8 (simple orthorhombic).

Solution

Extended the get_cell() function in dpdata/qe/scf.py to support all standard Quantum Espresso lattice types (ibrav 1-14):

• ibrav=1: Simple cubic (existing support maintained)
• ibrav=2,3,-3: Face-centered, body-centered, and reverse body-centered cubic
• ibrav=4: Hexagonal and trigonal
• ibrav=6,7: Simple and body-centered tetragonal
• ibrav=8,9,-9,10,11: Various orthorhombic lattices
• ibrav=12,-12,13,-13: Monoclinic lattices
• ibrav=14: Triclinic

The implementation:

1. Parses both standard parameters (a, b, c, cosab, cosac, cosbc) and alternative celldm notation
2. Validates required parameters for each lattice type
3. Generates correct lattice vectors according to QE specifications
4. Maintains full backward compatibility with existing ibrav=0 and ibrav=1 workflows

Testing

Added comprehensive test suite covering:

• All major ibrav types with parameter validation
• Mixed parameter formats (standard + celldm)
• Error handling for missing required parameters
• Backward compatibility verification

Example usage that now works:

# Simple orthorhombic lattice (ibrav=8)
dataset = dpdata.LabeledSystem('./scf0.out', fmt='qe/pw/scf')
print(dataset.data['cells'][0])  # [[a, 0, 0], [0, b, 0], [0, 0, c]]

Fixes #408.

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