[Wien] "vresp: Undefined variable" with runsp_c_lapw

Tran, Fabien fabien.tran at tuwien.ac.at
Mon Apr 20 15:04:35 CEST 2020


Open the file $WIENROOT/runsp_c_lapw and add "set vresp?" at line 91 (below "set grid = 0"):

set grid = 0
set vresp



________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Luc Fruchter <luc.fruchter at u-psud.fr>
Sent: Monday, April 20, 2020 2:03 PM
To: wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] "vresp: Undefined variable" with runsp_c_lapw

While running "runsp_c_lapw -orb -so -p", I get a message error similar to the one already observed in "runafm_lapw" (Wien2k 19.1):

LAPW0 END
ORB   END
LAPW1 END
LAPWSO END
vresp: Undefined variable

Is this a problem similar to the one in :
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19087.html

Thanks for your help
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