ABINIT Discussion Forums

Dear all, How is it possible to make a convergence study with respect to both a and c for an hexagonal structure? I have a method but it doesn't look very practical: To vary "a". And for every value of "a", you vary "c "and the adequate value of "c" is the one...

Dear all,

Is there a way to vary temperature in GS calculations?
I didn't find a variable for temperature in the input variables.

thank you for your reply. this is what I found in /home/omar/abinit-6.10.2/plugins/netcdf/netcdf-4.1.1/config.log. configure:5111: checking whether the C compiler works configure:5133: gcc -g -O2 -mtune=native -march=native -mfpmath=sse -DNDEBUG -Df2cFortran conftest.c >&5 cc1: error: invalid op...

Thank you so much for your reply. now the ./configure works but the make step fails. please can you tell me what are the packages necessary for building abinit and where I should download them? this is what I get after make checking whether CXX is set to ''... no checking whether FC is set to ''... ...

Dear all, I'm new to abinit. I downloaded the abinit-6.10.2 version on Suse and I gunziped and untared it. I got an error after ./configure Can you tell me how to correct this error? I'd appreciate your help. this is what I get after ./configure ======================================================...