[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!

Best regards


 Institute of Metal Research (IMR)
 the Chinese Academy of Science (CAS)

E_mail:xywu at imr.ac.cn

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