[Wien] QTL-B error,,,LAPW2 crashed

2010-10-19 Thread santu baidya 
Respected Sir,
  I  am using Wien2k package to do SpinOrbit calculation of a
double perovskite compound .I have spin polarised calculation.I have done
exactly same steps to do SO calculation as given in userguide. But at the
end LAPW2 is crashed. In error file it is showing the error--
 { L2main - QTL-B Error
cp: cannot stat `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp1': No such file or directory}

Could you please suggest anything to overcome this difficulty.Thanking You.

SantuBaidya
santubaidya2009 at gmail.com
   JRF
SNBNCBS
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[Wien] QTL-B error,,,LAPW2 crashed

2010-10-19 Thread Hajari Nejatii 
Hi.
This error?maybe is related to?extra difference between Radius Muffin-tin 
(RMT)?of atoms in structure file.

--- On Tue, 10/19/10, santu baidya  wrote:


From: santu baidya 
Subject: [Wien] QTL-B error,,,LAPW2 crashed
To: Wien at zeus.theochem.tuwien.ac.at
Date: Tuesday, October 19, 2010, 3:15 PM


Respected Sir,
? I? am using Wien2k package to do SpinOrbit calculation of a 
double perovskite compound .I have spin polarised calculation.I have done 
exactly same steps to do SO calculation as given in userguide. But at the end 
LAPW2 is crashed. In error file it is showing the error--
 { L2main - QTL-B Error
cp: cannot stat `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp1': No such file or directory}

Could you please suggest anything to overcome this difficulty.Thanking You.
???
 
SantuBaidya?
 santubaidya2009 at gmail.com
?? JRF
SNBNCBS

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