[Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure

[Lyudmila Dobysheva]

22.11.2022 11:35, ma.azadparvar wrote:
> The command << parabolfit_lapw -t 4 -f case -g >> is correct and 
> generates case.ene  and case.latparam.
> Unfortunately, I have faced another error:
> opt_bZn2V2O7_0.7GPa.ene and opt_bZn2V2O7_0.7GPa.latparam generated
>    Enter dimension of fit (number of variable lattice parameters, 1-6):
> 4  fitcase 15  parameter
> forrtl: severe (59): list-directed I/O syntax error, unit 10, file 
> /home/path/opt_bZn2V2O7_0.7GPa/opt_bZn2V2O7_0.7GPa.ene
...
> error: command   /home/path/wien2k/eosfit6 eosfit6.def   failed
> I have checked case.ene and case.scf files related to the pointed line 
> (67) but I could not find any bad numbers or any errors.

It's better that you send us the whole info at once.
Send exactly the command you put and the output of the program to 
terminal and the files that it created.
Send the files .ene and .latparam
Try the same in directory with a simpler and shorter name, sometimes I 
had errors when the names of files were too long, or with some unusual 
symbols (for example your files have two points in the name...).
I prefer making parabolfit without keys and answering the questions.

Best wishes
Lyudmila Dobysheva
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