[Wien] error while calculating DOS

[Pascal BOULET]

Well, I expected your struct file would be missing. But if it is not the case, then I do not know. Sorry...

venkatesh chandragiri <venkyphysicsiitm at gmail.com> wrote:Dear Pascal,
thanks for your prompt reply. The file.20 indicate the case.struct of the system. The folder in which i am doing calculation contains this case.struct file. But after running the command "x lapw2 -up -qtl -c" , the uplapw2.def file does not contain any information other than the a line as given below....

============================
31,'./Fe2VA75In25_SP_SCF.helpup', 'unknown','formatted',0

================================

the uplaw2.def file before DOS calculations looks as given below....
=============================
 2,'Fe2VA75In25_SP_SCF.nshup',    'unknown','formatted',0 3,'Fe2VA75In25_SP_SCF.in1c',   'unknown','formatted',0 4,'Fe2VA75In25_SP_SCF.inso',           'unknown','formatted',0 5,'Fe2VA75In25_SP_SCF.in2c',   'old',    'formatted',0 6,'Fe2VA75In25_SP_SCF.output2up','unknown','formatted',0 7,'Fe2VA75In25_SP_SCF.vorbup','unknown','formatted',0 8,'Fe2VA75In25_SP_SCF.clmvalup','unknown','formatted',010,'./Fe2VA75In25_SP_SCF.vectorup', 'unknown','unformatted',900011,'Fe2VA75In25_SP_SCF.weightup',    'unknown','formatted',013,'Fe2VA75In25_SP_SCF.recprlist',      'unknown','unformatted',900014,'Fe2VA75In25_SP_SCF.kgen',        'unknown','formatted',015,'Fe2VA75In25_SP_SCF.tmpup',       'unknown','unformatted',016,'Fe2VA75In25_SP_SCF.qtlup',       'unknown','formatted',017,'Fe2VA75In25_SP_SCF.weightaverup','unknown','formatted',018,'Fe2VA75In25_SP_SCF.vspup',       'old',    'formatted',019,'Fe2VA75In25_SP_SCF.vnsup',       'unknown','formatted',020,'Fe2VA75In25_SP_SCF.struct',         'old',    'formatted',021,'Fe2VA75In25_SP_SCF.scf2up','unknown','formatted',022,'Fe2VA75In25_SP_SCF.rotlm',   'unknown',    'formatted',023,'Fe2VA75In25_SP_SCF.radwfup',   'unknown',    'formatted',026,'Fe2VA75In25_SP_SCF.weighup',   'unknown','unformatted',027,'Fe2VA75In25_SP_SCF.weighdn',   'unknown','unformatted',029,'Fe2VA75In25_SP_SCF.energydn','unknown','formatted',030,'Fe2VA75In25_SP_SCF.energyup', 'unknown','formatted',032,'Fe2VA75In25_SP_SCF.qdmftup',   'unknown',    'formatted',034,'Fe2VA75In25_SP_SCF.oubwinup',   'unknown',    'formatted',0231,'Fe2VA75In25_SP_SCF.dmftsym',   'unknown',    'formatted',0
===========================================
why the content in the uplapw2.def is removed if i run the command "x lapw2 -up -qtl -c".
thanks you for your earlier suggestion and looking for your response.
with best Regards,
Ch. Venkatesh,C/o. Prof. V. Srinivas,Department of Physics IIT chennaiph: +91445909693_______________________________________________
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>-----------------
Pascal Boulet
Aix-Marseille University 
MADIREL Laboratory
Avenue Normandie-Niemen
13397 Marseille Cedex 20
Email: pascal.boulet at univ-amu.fr
Tel. +33 413 55 18 10
Fax  +33 413 55 18 50
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