I am running tetra-elast for elastic constant calculation (for the given
example PtSi). C11+c12, C33, Czz run quite well but for C11-C12, C44,
C66 i face the following error. Please suggest the possible solution.
DSTART - Error
** dstart crashed!
cat: No match.
0.0u 0.0s 0:00.03 0.0% 0+0k 0+48io 0pf+0w
error: command /opt/share/WIEN2K/v14.2-ifort-11.1.075.app/dstartpara
-c dstart.def failed
forrtl: severe (24): end-of-file during read, unit 14, file
/home/sajjadm/sajjad/codes/tetra-elastic/example/ptsi/test/elast-constant/c66/test/new_super.clmsum
This file should be present when clmextrapol is run.
It is created by x dstart -super
In case that dstart will crash because a case.rsp file is missing, you
have to create it using
x lstart
(and if lstart crashes, you need case.inst (created by instgen_lapw)
--
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
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