[Wien] [SPAM?] Fw: DOS of SIC calculation
    Mahdieh Estabraghi 
    m_estabraghi_87 at yahoo.com
       
    Wed Sep 29 09:19:30 CEST 2010
    
    
  
----- Forwarded Message ----
From: Mahdieh Estabraghi <m_estabraghi_87 at yahoo.com>
To: wien at zeus.theochem.tuwien.ac.at; wien at zeus.theochem.tuwien.ac.at
Sent: Wed, July 14, 2010 1:48:18 PM
Subject: DOS of SIC calculation
  I have run a SIC calculation with GGA+U+SO, the init_lapw and SCF have been 
done. 
 When I calculated the DOS, the spin-up of the DOS is finished 
 successfully, but for the spin-dn,  run *x tetra -dn*, the error is :
 input/output 148: Invalid character
 in procedure :main  program
 at line :194
 statement : formattted read
 unit:4
 connected to :UO2.qtl
 error: command     home/wien2k.08/tetra dntetra.def failed
      
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