atest is used in run_lapw to find out whether a certain atom has
forces or not.
It might point to another incompatibility of Linux/csh/tcsh versions,
which I cannot test.
If you are somehow familiar with Linux, you may edit $WIENROOT/run_lapw
search for "atest":
set atest=`head -$itest $file.inM |tail -1`
set itest=`echo " $atest[1] + $atest[2] + $atest[3]"|bc`
and print some variables (echo $itest before the two lines and
echo $atest after the first line)
This may give a hint to solve the problem.
Yurko Natanzon schrieb:
> Dear wien2k users,
> I'm running scf calculation of TiO2 (rutile) with GGA-PBE functional
> and other parameters as in the example section of the User manual.
> After each lapw0 cykle I get a warning:
>
> atest: Subscript out of range
>
> However, the calculation continues and finishes normally, and no
> .error files are created. This warning appears twice after succecfull
> LAPW0 end in each SCF cycle.
>
> Could you explain the meaning of this warning and what can be done to
> avoid it? Seems that nobody have posted such question before, the
> maillist search gave no results.
>
>
--
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
-----------------------------------------
