Dear Prof. Kroeker,
Right before the line 47, where the problem is there, I let be printed
values of the "rho,tauw,grho,g2rho, tau_falsch" quantities, as follows:
print*,'int:rho,tauw,grho,g2rho',rho,tau,grho,g2rho,'tauwrong=',tau_falsch
if(tau.eq.tauw .and. ir.gt.900.and.iint.
m.tuwien.ac.at
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why don't you give numbers but NX or NX1 in youre .inso file ?
Ciao
Gerhard
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
Von: wien-bounces at zeus.the
roblem.. If any body can provide us help, it will be greatly
appreciated.
K.S Sharma
The IIS University
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> I tried the Wien2k 10 the same error I face
>
> forrtl: severe (64): input conversion error, unit 5, file
> /root/WIEN2k/wien10_test/test2/test2.inso
> the file is in attachments
> I just work with FCC structure so I make the direction
> of magnetization in the plane 1 1 1
> my structure i
>But, again the segmentation fault error occurred at line 47
It was only a wild guess. So either one of the other values that
are printed on line 46(47) contains an unprintable value, or - more
likely - an array overflowed somewhere else and the memory management
breaks down on the next attempt to
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>
>--
>Peter Blaha
>Inst.Materials Chemistry
>TU Vienna
>Getreidemarkt 9
>A-1060 Vienna
>Austria
>+43-1-5880115671
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>Wien at zeus.theochem.tuwien.ac.at
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--
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671
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Wien
If the program hangs in lapw2, the program "before lapw2" should be
checked, i.e. scf1(up/dn) files should be examined. Are there reasonable
eigenvalues ? Are the energy parameters "reasonable" ?
To get an idea how far lapw2 comes:
Edit uplapw2.def and change unit 6 to 66.
Then run: lapw2 upla
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