Hi,
I have recently re-installed wien2k (for latest version) on my
workstation with ubuntu 18.04 OS. Everything works fine except for pairhess
program. I then cross checked with TiC example also. Case.inm file is not
getting created by pairhess. Error file shows message " 'PairHe' - Error,
structure does not appear to have variable positions! " I browsed mailing
list and found one thread related to this error.
https://wien.zeus.theochem.tuwien.ac.narkive.com/XGUxEuMP/pairhess-errori even tried "x pairhess -copy" but no use. Above thread discuss installation related issues. I have checked compile messages and everything fine there. Please help me understand where the problem lies and how to resolve it. WIEN2K options, compiler linker setting file is attached for reference (i have installed libopenblas package from https://sourceforge.net/projects/openblas/) Thanks, A. Kumar
compiler
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WIEN2k_OPTIONS
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Case_pairhess.error
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