[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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