[CPMD-list] Compilation of cpmd2cube

[kohsj at ihpc.a-star.edu.sg]

Dear Sir,

Thanks a lot for clarifying on the compilation part.  I managed to compile the cpmd2cube by simply typing "make" within the "cpmd2cube-v0.1.1" folder (with no changes made to the cpmd2cube "Makefile").

Afterwhich, I've tried to convert the binary DENSITY file generated from the h2o exercise (this is in order to display the Kohn-Sham Orbitals), using the following command:

> ./cpmd2cube DENSITY

The following error message came out:

Illegal instruction (core dumped)

Why is this so?  The manual (S. 10.1.2) mentioned the conversion of WANNIER files only, am I missing or misinterpreting anything?  Thanks for your attention.


Adrian
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