[Wien] x lapw5 in w2web defines lapw5.def ?

Luc Fruchter luc.fruchter at u-psud.fr
Wed Aug 1 17:35:15 CEST 2018


Dear users,

I am trying to plot the case.r2v density, using the w2web interface.

It seems that the "x lapw5" button of the electron-density task does 
more than simply execute lapw5, as the lapw5.def file (supposed to be an 
input) will be changed back after this to the default options (so, it is 
not possible to use the case.r2v file as an input, as it is reset to 
case.clmval).

Is the only way to go around this to use command lines to run lapw5 ?

By the way, is there a more recent user-friendly interface scheduled for 
wien2k (it does not seem to evolve as much as wien2k does) ?


kind regards


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