[Pw_users] Third patch for PWscf
Paolo Giannozzi
pw_users@pwscf.org
Wed, 21 Apr 2004 12:15:37 +0200
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The third patch for the new PWscf version (2.0) is attached to this
message. This patch fixes a less-than-perfect fix for default
values of startingwfc and startingpot in the previous patch; more
occurrences of "error in reading namelist" in phonon, third-order,
postprocessing codes with k-point parallelization on some machines;
calculation of Raman coefficients in Gamma-only phonon code in some
cases; a crash in planar average if used with cubic systems;
compilation errors with option __NEW_PUNCH; NEB with LDA+U;
incorrect preconditioning in lbfgs; multiple writes to file in
parallel execution in electron-phonon calculation.
Make a copy of your distribution, just in case. Save the patch file
in the root directory of the distribution, then:
gunzip patch-2-0p3.gz
patch -p1 < patch-2-0p3
If you don't like patches, or if patches don't like you, you can
download the patched version of the code (version number 2.0.2)
from the web site 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
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