[Wien] crystal building

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[Wien] elastic constant

Dear Stefaan, I want to calculate the elastic constants of flurite CaF2, but I meet the following errors: INITIALIZATION for RHOMBOHEDRAL CALCULATIONS ***

[Wien] WIEN2k 08 lapw2 error

The error happens when you try to open the "help"-files, i.e. unit 31. a) Is this a "regular lapw2 run", without "-help_files" switch in x lapw2 b) Check your lapw2.def file: It must not contain any line with unit 31. If it does NOT contain unit 31, the program MUST NOT try to open unit 31.