<div dir="ltr"><div><div><div>Dear Prof. peter blaha and wien2k experts,<br><br></div>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.<br>
<br></div>Regards<br></div>wasim<br><div><div><br>hup: Command not found.<br> LAPW0 END<br> LAPW1 END<br> LAPW2 END<br> CORE END<br> MIXER END<br>ec cc and fc_conv 0 1 1<br>in cycle 2 ETEST: 0 CTEST: 0<br>hup: Command not found.<br>
LAPW0 END<br> LAPW1 END<br> LAPW2 END<br> CORE END<br> MIXER END<br>ec cc and fc_conv 0 1 1<br>in cycle 3 ETEST: 0 CTEST: 0<br>hup: Command not found.<br> LAPW0 END<br> LAPW1 END<br> LAPW2 END<br> CORE END<br> MIXER END<br>
ec cc and fc_conv 0 1 1<br>in cycle 4 ETEST: .1092254750000000 CTEST: .4629260<br>hup: Command not found.<br> LAPW0 END<br> LAPW1 END<br> LAPW2 END<br> CORE END<br> MIXER END<br>ec cc and fc_conv 0 1 1<br>in cycle 5 ETEST: .0816757200000000 CTEST: .1775404<br>
hup: Command not found.<br> LAPW0 END<br> LAPW1 END<br> LAPW2 END<br> CORE END<br> MIXER END<br>ec cc and fc_conv 0 1 1<br><br>in cycle 6 ETEST: .0194563700000000 CTEST: .1804727<br>hup: Command not found.<br> LAPW0 END<br>
LAPW1 END<br> LAPW2 END<br> CORE END<br> MIXER END<br>ec cc and fc_conv 0 1 1<br>in cycle 7 ETEST: .0026946250000000 CTEST: .0759627<br>hup: Command not found.<br> LAPW0 END<br> LAPW1 END<br> LAPW2 END<br> CORE END<br>
MIXER END<br>ec cc and fc_conv 0 1 1<br>in cycle 8 ETEST: .0030816400000000 CTEST: .0208062<br>hup: Command not found.<br> LAPW0 END<br> LAPW1 END<br> LAPW2 END<br> CORE END<br> MIXER END<br>ec cc and fc_conv 0 1 1<br>
in cycle 9 ETEST: .0003383600000000 CTEST: .0072849<br>hup: Command not found.<br> LAPW0 END<br> LAPW1 END<br> LAPW2 END<br> CORE END<br> MIXER END<br>ec cc and fc_conv 1 1 1<br><br>> stop<br><br></div></div></div>