[Wien] epsilon_2

2012-07-02 Thread saeid pourmasoud
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[Wien] regarding Wien2k palatalization

2012-07-02 Thread Kondaiah Samudrala
lan_' fftw_para.F:(.text+0x143): undefined reference to `fftwnd_f77_mpi_local_sizes_' Please help me in this. with regards S.Appalakondaiah -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120702/b0bf94f5/attachment.htm>

[Wien] problem with joint program

2012-07-02 Thread soumyajyoti haldar
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[Wien] Carrier Density from Band Structure

2012-07-02 Thread Alex Animalu
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[Wien] problem with joint program

2012-07-02 Thread Gavin Abo
nomy, Materials Theory >> ?ngstr?m Laboratory, Office ?13235 | Uppsala University >> Box 516, SE-75120, Uppsala, SWEDEN >> >> Phone: (+46) 18 471 5860 >> Mobile: (+46) 070 0399 394 >> http://www.physics.uu.se/en/page/soumyajyoti-haldar >> >> >> ___ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120702/226813f0/attachment.htm>

[Wien] Regarding Wien2k parallel installation

2012-07-02 Thread Maxim Rakitin
t; Thanks in advance > > S.Appalakondaiah > > > ___ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120702/697b95a4/attachment.htm>

[Wien] problem with joint program

2012-07-02 Thread Gavin Abo
120, Uppsala, SWEDEN > > Phone: (+46) 18 471 5860 > Mobile: (+46) 070 0399 394 > http://www.physics.uu.se/en/page/soumyajyoti-haldar > > > ___ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120702/95bc6032/attachment.htm>

[Wien] k points quesion?

2012-07-02 Thread t...@theochem.tuwien.ac.at
The total number of k points in the full BZ is given by the multiplication of the three integers in parenthesis at the first line of case.klist. On Sun, 1 Jul 2012, xiao.jianping at bccms.uni-bremen.de wrote: > Dear All, > > Thanks a lot! I have used 2*2*2 k sampling in CRYSTAL code for IBZ > (i

[Wien] regarding Wien2k palatalization

2012-07-02 Thread Laurence Marks
The reason is you need fftw-2.1.5 On Mon, Jul 2, 2012 at 9:32 AM, Kondaiah Samudrala wrote: > Dear all, > > Thank you for suggesting me about fftw compilers. Now i installed fftw-3.3.2 > succesfully, But i got same error again. Here i am giving complete details > F77=ifort > FC=ifort > MPIF90=mpi

[Wien] Regarding Wien2k parallel installation

2012-07-02 Thread Kondaiah Samudrala
ce again with regards .S.Appalakondaiah -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120702/174e78e0/attachment.htm>

[Wien] Regarding Wien2k parallel installation

2012-07-02 Thread Kondaiah Samudrala
27; make: *** [para] Error 2 Please make me correct path. Thanks in advance S.Appalakondaiah -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120702/e4eb6472/attachment.htm>

[Wien] Wien2k parallel installation

2012-07-02 Thread Kondaiah Samudrala
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[Wien] plz help required

2012-07-02 Thread arqum hashmi
m Hashmi -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120702/16cc5826/attachment.htm>