From pw_users@pwscf.org  Wed Jun 30 13:39:58 2004
From: pw_users@pwscf.org (Paolo Giannozzi)
Date: Wed, 30 Jun 2004 14:39:58 +0200
Subject: [Pw_users] New PWscf version
Message-ID: <200406301439.58754.giannozz@nest.sns.it>

The last patch for PWscf version 2.0 has been uploaded to the
web site  http://www.pwscf.org. It fixes the following problems:

  *  various T3E compilation problems
  *  cpmd2upf was yielding incorrect DFT if converting BLYP PPs
  *  some variables not properly written and read in restart file
  *  The value of gamma_only was not correctly set when restarting or
     reading from file with option __NEW_PUNCH enabled

Note that the previous patch (patch-2-0p4.gz) was uploaded to the web 
site in mid-may (I forgot to announce it to the list, sorry!). It fixes:

  *  Incorrect calculation of eloc in pw2casino
  *  Two serious bugs in the local-TF screening :
     possible occurrence of division by zero (present since v1.2),
     wrong mixing of spin polarized systems
  *  cpmd2upf failed with some files due to bad check
  *  NEB error estimate was overestimated
  *  Intel v.8: wavefunction files four times bigger than needed
  *  compilation problems on some version of SGI compiler
  *  non-collinear code was not working with insulators and nbnd > nelec/2

Make a copy of your distribution, just in case. Save the patch file
in the root directory of the distribution, then:
  gunzip patch-2-0p5.gz
  patch -p1 < patch-2-0p5
Patches should be applied in the correct order (p1 to p5) and only 
once. If you don't feel confortable with patches, just download 
the patched version of the code (version number 2.0.4) from
http://www.pwscf.org

Paolo

-- 
Paolo Giannozzi             e-mail:  giannozz@nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy