[Wien] dstart
Leonardo Pisani
pisani at itp.uni-frankfurt.de
Thu Jun 9 18:56:54 CEST 2005
Dear wien users,
I am running dstart for a 24 atom unit cell (all inequivalent),
space group 6 (P m).
The error message is
PGFIO-F-217/formatted read/unit=81/attempt to read past end of file.
File name = TiOCl_LT_U.rsp formatted, sequential access record = 5748
In source file dstart.f, at line number 238
The .rsp file looks regular.
Is there any limitation/constraint in WIEN2k
concerning the space group 6 (P m)?
Any suggestion is highly appreciated.
Best Regards,
Leonardo Pisani.
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Leonardo Pisani
Institut fuer Theoretische Physik
J.W.Goethe-Universitat Frankfurt
Max von Laue Strasse 1
60438 Frankfurt am Main
Germany
Phone: +49 (69) 798-47828
Fax: +49 (69) 798-47832
E-mail: pisani at itp.uni-frankfurt.de
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