[Wien] problem in creating input for dmftproj from wien2k

wasim raja Mondal wasimr.mondal at gmail.com
Fri Apr 26 14:48:47 CEST 2013


Dear Prof. peter blaha and wien2k experts,

I have installed wien2k_12 version in my ubuntu desktop. I have run the TiC
example. I want to do LDA+DMFT calculation. For that I will take the output
of wien2k and run  dmftproj which is a part of TRIQS (I have installed it).
According to the dmftproj manual, after succesful run of runscf there will
be created two file. One is case.almblm and another is case.dmftsym. The
last file that is case.dmftsym has been created but nothing is there inside
the file and another file (case.almblm) has not been created. what should i
do for creating the input file for dmftproj. I am giving the dayfile of my
scf run of TiC. Please help me.

Regards
wasim

hup: Command not found.
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 2    ETEST: 0   CTEST: 0
hup: Command not found.
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 3    ETEST: 0   CTEST: 0
hup: Command not found.
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 4    ETEST: .1092254750000000   CTEST: .4629260
hup: Command not found.
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 5    ETEST: .0816757200000000   CTEST: .1775404
hup: Command not found.
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 0 1 1

in cycle 6    ETEST: .0194563700000000   CTEST: .1804727
hup: Command not found.
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 7    ETEST: .0026946250000000   CTEST: .0759627
hup: Command not found.
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 8    ETEST: .0030816400000000   CTEST: .0208062
hup: Command not found.
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 9    ETEST: .0003383600000000   CTEST: .0072849
hup: Command not found.
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 1 1 1

>   stop
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