[Wien] error on initialize calc
Lyudmila Dobysheva
lyuka17 at mail.ru
Tue Feb 19 08:21:18 CET 2013
19.02.2013 09:58, Mus Anas цкщеу:
> im facing a problem during initialize calc.
> here the output when i click "dstart" accordingly after follow the "red
> box" as guide
> Commandline: x dstart -c -c
> Program input is: ""
> forrtl: severe (24): end-of-file during read, unit 15, file
> /root/WIEN2k/WIEN2k.in2c
> error: command /home/fedora17/WIENROOT/dstart dstart.def failed
Dear Mus Anas,
1. Have you conducted the whole procedure of initialization, passed the
stages nn, sgroup, symmetry, lstart and created the input files
correctly? After this procedure you are to have a file case.in2 or (in a
case without inversion) a file case.in2c. If you have no the symmetry,
but program prepared the file in2, you can copy it to in2c.
But you have to describe better what you did, now it is not clear for us
where the problem is.
2.
> Commandline: x dstart -c -c
The commandline should be: x dstart -c
3. By the way, it is not safe to work in a root directory. If you are a
user named userA, it is better to work in some directory like
/home/userA/wien2k/case1/
Best wishes
Lyudmila Dobysheva
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