Users may test the following possible improvements to Wien2k 12.1.
For "complex" calculations, testpara (under Utils. in w2web) and
testpara1 (in w2web or command line) gives the following error that I
believe it shouldn't give when a case.in1c exists and is not empty (and
contains K-VECTORS FROM UNIT:4):
K-Vectors must be read from unit 4
for parallel execution!
Change setting in case.in1!
Place attached testpara.patch in $WIENROOT/SRC_w2web/htdocs/util and run
in a terminal:
patch -b testpara.pl testpara.patch
Place attached testpara1_lapw.patch in $WIENROOT and run in a terminal:
patch -b testpara1_lapw testpara1_lapw.patch
Best regards.
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> if ( (-e "$DIR/$CASE.in1c") && !(-z "$DIR/$CASE.in1c") ){
> $complex="c";
> }
>
> if($complex =~ "c" ) {
> $umps = qx( cd $DIR; testpara -c );
> } else {
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> }
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< if (-e $case.in1c && -s $case.in1c ) set cmplx = c
---
> if ((-e $case.in1c) && !(-z $case.in1c) ) set cmplx = c
