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I also encounter similar case when calculating single atoms in a large vacuum nonmagnetically. This is my typical script : chksymbreak 0 ngkpt 1 1 1 #Definition of the unit cell acell 3*20 angstrom #Definition of the atom types ntypat 1 znucl 24 nsym 1 #Definition of the atoms natom 1 typat 1 xred 0...

Dear Abinit GW team, I also encounter band gap opening in calculating graphene wih GW. At k=0.333 0.333 0, E^0_gap & E^GW_gap information are missing, but certainly it opens the band gap. What does it mean ? Thank you & best regards, Hantarto Here is part of the output text : Perturbative Ca...

OK. Thank you, Mattheo.
Best regards,
Hantarto

Dear Matteo, Yes, we compiled abinit 7.6.2 with Ifort 14. :~> module show abinit/7.6.2 ------------------------------------------------------------------- /apps/modulefiles/abinit/7.6.2: prepend-path PATH /apps/abinit/7.6.2/bin module load intel-tools-14/14.0.0 mpt ----------------------------------...

Dear Mattheo,
Thank's for the speedy reply. I'll contact my supercomputer administrator then, because he compiled abinit 7.6.2.
Best regards,
Hantarto

Dear Mattheo, Here is input the file. The pseudopotential I use normal 06-C.GGA.fhi that I downloaded from the abinit webpage. C-nonprim.files C-nonprim.in C-nonprim.out C-nonprimi C-nonprimo C-nonprim 06-C.GGA.fhi For somehow I can't attach *.files & *.fhi in this email. Thank you. Regards, Han...

Dear All, Abinit 7.6.2 gives error in using GGA.fhi pseudopotential (ixc = 11). But it's ok when I change to LDA.fhi or HGH. Perhaps somebody has solution ? Thank's & regards, Hantarto The output file stops on : == DATASET 1 ================================================================== - np...