[Wien] help

[Peter Blaha]

Just 2 additional remakrs to the answers you already had:

a) For a dual core Xeon system the mpi-parallel version is useless.
    Don't worry about mpi-compilation and neglect it.

b) The commandline "x lapw2 -so -qtl"    indicates that you included
    spin-orbit coupling (maybe you accidentally clicked on SO somewhere ??)
    In any case, SO calculations can only be done after running  "initso_lapw",
    which would create TiC.in2c for you (without initso you just have TiC.in2),
    and is necessary for SO calculations.

Am 26.12.2011 07:21, schrieb arqum hashmi:
> dear users
> i am new user of wien2k. firstly i run the TiC example, and i find error in calculating DOS
> i am runing
> wien2k version10
> pentium (R) dual core Xenon processor
> operating system is linux
> fortran compiler 11.0.074
> math libraries 10.1.0.015
> Yes, I have already browsed the archives AND READ THE USERS GUIDE and the
> FAQ pages Peter provides, but I couldn't solve my problem that way.
> i have following error during DOS, please guide me about this
> Commandline: *x lapw2 -so -qtl *
> Program input is: *""*
>
> forrtl: severe (24): end-of-file during read, unit 5, file /home/hashumi/WIEN2k/TiC/TiC.in2c
> Image              PC        Routine            Line        Source
> lapw2c             0810B1CBUnknown               Unknown   Unknown
> lapw2c             0810A7EB  Unknown               Unknown  Unknown
> lapw2c             080CF1DE  Unknown               Unknown  Unknown
> lapw2c             0809EAF8  Unknown               Unknown  Unknown
> lapw2c             0809E782  Unknown               Unknown  Unknown
> lapw2c             080B51E1  Unknown               Unknown  Unknown
> lapw2c             080860FE  MAIN__                    199  lapw2_tmp_.F
> lapw2c             0804A611  Unknown               Unknown  Unknown
> libc.so.6          563E8BE5  Unknown               Unknown  Unknown
> lapw2c             0804A541  Unknown               Unknown  Unknown
> 0.008u 0.000s 0:00.00 0.0%	0+0k 0+16io 0pf+0w
> error: command   /home/hashumi/WIEN2k/lapw2c lapw2.def   failed
>
> thanks and regards
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
-----------------------------------------