[Wien] Newer ELPA version with WIEN2k (2017 onward)

[Ruh, Thomas]

Dear all!


I included a file to this message (seclr4.F) that is a necessary replacement if you want to use ELPA versions from 2017 and onwards. Since ELPA changed its interface, the WIEN2k implementation needed to be adapted as well.


Just copy the file to $WIENROOT/SRC_lapw1 and recompile lapw1 - you do not have to change anything else.


The old ELPA implementation in WIEN2k (for older versions) still works with the new file: You will have to add the switch " -DELPA15 " to your ELPA options (ELPA_OPT) in the Makefile in $WIENROOT/SRC_lapw1. This switch is an ADDITION to the already present switch "-DELPA" - both are needed to use the old interface with the new file.


Kind regards

Thomas Ruh

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