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Chronological Thread 
  • From: ariesto@physik.rwth-aachen.de
  • To: forum@abinit.org
  • Subject: pseudo
  • Date: Mon, 17 Nov 2003 16:44:23 +0000 (GMT)
  • Priority: normal

dear All
I am a new comer in abinit, I have 2 basic questions:

1.How do we determine the of value of acell and rprim
2. for compound which consist of more than one
elements and each element has more than one atom,
for example:A3B2C3. How do we write xcart or xred in
input file and pseudopotensial in files file to make
it match (psedopotensial A for element A, etc) ?

thank






  • pseudo, ariesto, 11/17/2003

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