quantum-espresso/upftools/how_to_fix_upf.md

628 B

How to fix UPF files v2.01

Many upf files written with by previous version of ld1.x contain & characters. This is a reserved symbol in XML syntax and needs to be escaped.

To fix your UPF files you can:

  • use the fix_upf.x executable present in this directory ;

  • replace using an editor the 2 or 3 occurrences of & with the corresponding escape code &;

  • Mark all the text contained in the <PP_INPUTFILE> element as non parsable text, to do this make these replacements:

<PP_INPUTFILE>  ---> <PP_INPUTFILE><![CDATA[

and

</PP_INPUTFILE>  ---> ]]></PP_INPUTFILE>