ABINIT Discussion Forums

Dear abinit user, I am working on cu111 surface in supercell. Giving following input xred?: 0.0 0.0 0.3 0.5 0.0 0.3 0.0 0.5 0.3 0.5 0.5 0.3 1/6 1/6 0.4 4/6 1/6 0.4 1/6 4/6 0.4 4/6 4/6 0.4 2/6 2/6 0.5 5/6 2/6 0.5 2/6 5/6 0.5 5/6 5/6 0.5 0.0 0.0 0.6 0.5 0.0 0.6 0.0 0.5 0.6 0.5 0.5 0.6 1/6 1/6 0.7 xred...

Hello! I am trying GW calculation on lead telluride using HGH pseudopotentials. Program tells that in order to make KSS file I should put variable mpspso = 0 But when I do that it leads to error chkvars : ERROR - Found the token MPSPSO in the input file. This name is not one of the registered input ...

Solved by adding --disable-mpi-io to configure options

Hello! I get following error message as result of compilation: Making all in 12_hide_mpi make[3]: Entering directory `/home2/fian1/tikhonov/abinit-6.12.3/src/12_hide_mpi' mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -I/home2/fian1/tikhonov/abinit-6.12.3/fallbacks/exports/incl...

Try to copy files mpif.h mpif-common.h mpif-config.h mpif-mpi-io.h from /usr/include into src/incs/ subdirectory of directory where you are running make Dear "lumbrius", I did not found these files in /usr/include. I suppose that I have to install MPI in my machine in order to have these ...

Try to copy files mpif.h mpif-common.h mpif-config.h mpif-mpi-io.h from /usr/include into src/incs/ subdirectory of directory where you are running make