CHANGES OF VERSION 5.1.9

 

1.  BUGS

2. ALGORITHMS: additions or changes  to existing functional ability

 

1. BUGS

   ·     fixed bug in generate_kpoints - on opening of file SCF_KPOINTS

      changed status to unknown and ut in rewind statement

     ·     fixed bug in call to fermi_surface in pwmain that was put int by DJR

      the pw_params%output was past bound - switched from (1) to (4)

     ·     fixed bug in NL_relaspace part of apply_ham_wavfn that was

      introduced when support of multiple bands was introduced

 

2. ALGORITHMS: additions or changes  to existing functional ability

       ·     added the ability to do multiple FFT of NL pseudopotentials

      altered generate_potential_gspace.f90 and getwmask.f90