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Dear Abinit community, I am calculating some FM and AF structure, so I need get magnetic moment. a output result is Integrated total density in atomic spheres: ------------------------------------------- Atom Sphere radius Integrated_up_density Integrated_dn_density Total(up+dn) Diff(up-dn) 1 1.6935...

I solve the problem
install mpich, and add
enable_mpich="yes"
into name.ac file.

Dear all, My configure file is: enable_mpi="yes" enable_mpi_io="yes" enable_openmp="yes" with_mpi_prefix="/usr" with_netcdf_incs="-I/usr/include" with_netcdf_libs="-L/usr/lib64 -lnetcdf -lnetcdff" with_fft_flavor="fftw3" with_fft_...

I think I solve the problem. change pseudopotential.

I think I solve the problem. Change
upawu 4.0 0.0 eV
jpawu 0.4 0.0 eV

to
upawu 0.0 4.0 0.0 eV
jpawu 0.0 0.4 0.0 eV

Dear all,
I add spin polarization to Mn atoms, I got
fxphas.F90:161:ERROR
fxphas:
The eigenvector number1 has zero norm

my input file is attached. I use atompaw to produce LDA-PW pseudopotentials

Could you tell me what problem? Thank you.

Best wishes,

Qingping

Dear all, My input file is: optcell 2 ionmov 3 ntime 200 dilatmx 1.05 natfix 1 iatfix 1 natfixz 24 iatfixz 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 ecutsm 0.5 #Definition of the unit cell chkprim 0 acell 18.17 18.17 5.401 rprim 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0 #Definition o...

Thank you so much for your reply. Yes, my internet has some problem. How can I solve the problem, if I cannot use internet. Hi, the configure file is perhaps good… but the problem is : configure: downloading LIBXC - this may take a while configure: downloading LIBXC - this may take a while configure...

Thank you so much for your reply. Yes, my internet has some problem. How can I solve the problem, if I cannot use internet.

First, I used configure file is enable_mpi="yes" enable_mpi_io="yes" with_mpi_prefix="/usr" with_netcdf_incs="-I/usr/include" with_netcdf_libs="-L/usr/lib64 -lnetcdf -lnetcdff" with_fft_flavor="fftw3" with_fft_incs="-I/usr/include/&quo...