
This directory contains a patch for espresso-4.3.2 that fixes bugs 
listed below. Assuming BerkeleyGW is installed in $BGWPATH/BerkeleyGW,
to apply the patch execute the following command 
in the directory containing the espresso-4.3.2 directory:

% patch -p0 -i $BGWPATH/BerkeleyGW/MeanField/ESPRESSO/version-4.3.2/espresso-4.3.2-patch

espresso-4.3.2 buglist:

(1) <<< THIS IS FIXED IN QUANTUM ESPRESSO 5.0 >>>
If you run espresso nscf calculation with startingwfc set to file 
you may get error message saying "cannot read wfc : file not found". 
This happens because subroutine verify_tmpdir in PW/input.f90 renames 
data-file.xml to data-file.xml.bck and subroutines read_planewaves and 
read_wavefunctions in PW/pw_restart.f90 try to read from data-file.xml 
which doesn't exist. To get around this problem read from .xml.bck in 
read_planewaves and read_wavefunctions if opening .xml returns error.

(2) <<< THIS IS FIXED IN QUANTUM ESPRESSO 5.0 >>>
Missing "CALL stop_pp ( )" at the end of PP/plan_avg.f90 causes it 
to crash sometimes.

(3) <<< THIS IS FIXED IN QUANTUM ESPRESSO 5.0 >>>
Sometimes pw.x generates additional k-points in a "nscf" run with an explicit 
list of k-points. If this is the case for your calculation, there are several 
ways to go around this problem: 
* Apply the patch provided with BerkeleyGW. It will prevent pw.x from 
  generating additional k-points if they are provided explicitly, and 
  take care of the normalization of the weights of k-points in a "bands" 
  calculation. 
* Do not specify the atomic positions in the input file of kgrid.x (set 
  number of atoms = 0). Then pw.x will generate additional k-points which 
  are the correct ones. Also set noinv = .true. in the input file of pw.x 
  if time-reversal symmetry was not used in kgrid.x. 
* Run a pw.x "bands" calculation instead of "nscf". In this case you have 
  to explicitly specify the occupations in the input file of pw2bgw.x (note 
  that this only works for insulators) and to normalize the weights of 
  k-points to one in the input file of pw.x.
