[Wien] for the second time problem with w2web"Error - Failed to open file"

2010-12-15 Thread sufyan
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[Wien] for the second time problem with w2web"Error - Failed to open file"

2010-12-15 Thread Tomas Kana
Dear Sufyan Naji, I would go to your home directory and remove the whole w2web directory rm -r ~/.w2web Then I would start w2web again and if the port 7890 is already in use, then I would try to use port 7891 or 7892. Maybe this helps Tomas Dear prof Blaha , Dear Wien2

[Wien] for the second time problem with w2web"Error - Failed to open file"

2010-12-15 Thread sufyan
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[Wien] Born effective charge

2010-12-15 Thread santu baidya
. Santu Baidya JRF SNBNCBS KOLKATA -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101215/a122b0bc/attachment.htm>

[Wien] LAPW0 hangs in mBJ calculation

2010-12-15 Thread Peter Blaha
Did you check the mailinglist postings ? Similar reports were made several weeks ago and modifications of the mbj routines were posted. Are you using the modified routines or the original ones from WIEN2k_10 ?? Am 14.12.2010 23:28, schrieb John McLeod: > Hello WIEN2k users, > > I am running vers

[Wien] LAPW0 hangs in mBJ calculation

2010-12-15 Thread John McLeod
3E+015 >> 294540672667.298 -3.693753715914154E+016 tauwrong= >> -1.834378635950119E+016 >> [snip: more lines of "int:rho,..." as above] >> int:rho,tauw,grho,g2rho 3906392.62878114 5.552066580175691E+015 >> 294540672663.729 -3.693753716133459E+016 tauwrong= >> -1.834378636059656E+016 >> case.dayfile end >> >> >> >> ___ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -- next part -- A non-text attachment was scrubbed... Name: brj.f Type: text/x-fortran Size: 3650 bytes Desc: not available URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101215/5984df4d/attachment.f>