[Pw_forum] about the atomic positions
xywu
xywu at imr.ac.cn
Sat Dec 18 10:10:49 CET 2004
Dear pwscf users,
What's the difference between of the Atomic position used in PWSCF:
alat, bohr, crystal and angstrom. Please give me some advice.
the error occurs:
wrong index in ATOMIC_POSITIONS.
Thank you in advance!
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Best regards
X.Y.Wu
Institute of Metal Research (IMR)
the Chinese Academy of Science (CAS)
E_mail:xywu at imr.ac.cn
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