[Wien] [Wien2k Users] QTL Error in DOS calculations

[Ghosh SUDDHASATTWA]

My experience says that if there is any ghost band message in the case.scf
file, then we get such errors during the running of the qtl program. 

You can use the in1ef switch for removing any warning messages or make
case.in1 file more flexible by changing the linearization energies. 

 

Cheers 

SG 

 

 

  _____  

From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of crazy Li
Sent: Tuesday, April 13, 2010 7:10 AM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] [Wien2k Users] QTL Error in DOS calculations

 

I have the same error information! 

appreciate any suggestin!

Thanks a lot!

2010/3/19 Ghosh SUDDHASATTWA <ssghosh at igcar.gov.in>

Dear Wien2k Users, 

The following error came while calculating DOS for our case 

forrtl: severe (24): end-of-file during read, unit 1001, file
/group5/cg/sghosh/WIEN2k/lapw/Hexagonal_Zirconium/Hexagonal_Zirconium.qtlato
m_1

Image              PC                Routine            Line        Source


qtl                0000000000512AFE  Unknown               Unknown  Unknown

qtl                0000000000511A90  Unknown               Unknown  Unknown

qtl                00000000004CCBFE  Unknown               Unknown  Unknown

qtl                0000000000495817  Unknown               Unknown  Unknown

qtl                00000000004950F4  Unknown               Unknown  Unknown

qtl                00000000004AEC20  Unknown               Unknown  Unknown

qtl                0000000000418409  MAIN__                    607
qtlmain.f

qtl                0000000000404DC2  Unknown               Unknown  Unknown

libc.so.6          00000039FBC1D8A4  Unknown               Unknown  Unknown

qtl                0000000000404CE9  Unknown               Unknown  Unknown

4.430u 1.981s 0:09.98 64.2%   0+0k 0+0io 14pf+0w

error: command   /appl/wien/qtl qtl.def   failed

 

 

We need some help 

 

Suddhasattwa 


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