[Wien] x nn invalid null command.

2010-09-03 Thread Vit
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[Wien] x nn invalid null command.

2010-09-03 Thread Peter Blaha
Most likely you can ignore this. It seems you still have a hup command in x_lapw and your system does not recognize it. Am 03.09.2010 06:52, schrieb Vit: Dear Wien2k users, We are new to using wien and now on fresh wien install we have some problems. After folowing manual on page 24 and

[Wien] Slab calculations

2010-09-03 Thread ty...@barc.gov.in
Thanks a lot Some fundamental concepts of surface calculations are nicely explained in the book Density functional theory: A practical introduction by David S. Sholl, Janice A. Steckel, in Chapter 4: DFT calculations for surfaces of solids Best regards, Juergen Spitaler tyagi at

[Wien] Fortran compiler compilation problem

2010-09-03 Thread shamik chakrabarti
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[Wien] Fortran compiler compilation problem

2010-09-03 Thread Laurence Marks
Either 2. or first su to root. 2010/9/3 shamik chakrabarti shamikphy at gmail.com: Dear wien2k users, I want to install wien2k_08. For that I am trying to install a fortran compiler l_fc_p_10.1.018.tar.gz in a system have fedora 10 as operating system. I know root password of the system too.

[Wien] Fortran compiler compilation problem

2010-09-03 Thread shamik chakrabarti
Chakrabarti Research Scholar Dept. of Physics Meteorology Material Processing Solid State Ionics Lab IIT Kharagpur Kharagpur 721302 INDIA -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100903/12446978

[Wien] Fortran compiler compilation problem

2010-09-03 Thread Laurence Marks
chmod a+x ./secore 2010/9/3 shamik chakrabarti shamikphy at gmail.com: Dear?Laurence Marks Sir, I have tried with the option su to root. But even after moving to root shell the same dialogue is appearing after the command ./install.sh.and I am not able to proceed further...Thanking You,

[Wien] incompatibility introduced in lapw1para_lapw in version 10.1

2010-09-03 Thread Jian-Xin Zhu
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