ABINIT Discussion Forums

How to construct a super cell using abinit? I am trying to build a super cell for ZnO and TiO2 using input variables, natrd =2 , nobj = 1 , nobjaat = 1 2 abjaat = 2 2 1 (for 2*2*1 super cell). But, at the time of compilation it is giving error mentioning array is not correct... Can any one tell me w...

Sir, again it is giving some error like this... Error: Type mismatch in argument 'block_displ' at (1); passed INTEGER(8) to INTEGER(4) ../../../src/51_manage_mpi/m_wffile.F90:4025.40: call xmpio_type_struct(nbval+2,length1,depl1,type1,filetype,ierr) 1 Error: Type mismatch in argument 'block_displ' a...

I have 32 bit cpu but showing same problem as described above.. please help me. /usr/bin/install: target 'instalation/abinit-7.10.5/build/fallbacks/exports/lib/libxc.la' is not a directory make[7]: *** [install-libLTLIBRARIES] Error 1 make[7]: Leaving directory `/home/homnath/Desktop/Abinit instalat...

finally i got the answer..and it may be useful for someone having same question..
we don't have to get the psps separately for different compounds, we have to use the psps for its element.

How to get the psps for di-atomic and tri-atomic molecules? And how to create defects and vacancies in the system?
I am presently working with ZnO molecules.
please help me...