Dumb error in pw_export leading to crash (thanks to Jun Jiang for noticing it)

Minor documentatiom updates


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13189 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2016-12-06 14:44:01 +00:00
parent dacee3ddd4
commit eb5ff6a5dd
3 changed files with 6 additions and 2 deletions

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@ -9,7 +9,7 @@ Incompatible changes in svn version:
Fixed in svn version
* PP: incorrect results in "projwfc.x" with PAW projection due to a
missing line (r13121)
missing line (r13121); crash in pw_export.x" due to dumb error (r13189)
* PW: final scf step in variable-cell calculation could crash
due to missing reset of FFT dimensions (r13116)
* FD: dangerous "q==0" check in matdyn.f90 (r13109)

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@ -251,6 +251,10 @@ complies with the following guidelines:
\item Be short: no need to send 128 copies of the same error message just
because you this is what came out of your 128-processor run. No need to
send the entire compilation log for a single error appearing at the end.
\item Do not post large attachments: point a linker to a place where the
attachment(s) can be downloaded from, such as e.g. DropBox, Google Docs,
or one of the various web temporary storage spaces (e.g.:
ExpireBox,File.Town, Uguu.se.
\item Avoid excessive or irrelevant quoting of previous messages. Your
message must be immediately visible and easily readable, not hidden
into a sea of quoted text.

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@ -817,7 +817,7 @@ SUBROUTINE write_export (pp_file,kunit,uspp_spsi, ascii, single_file, raw)
npw = ngk(ik-iks+1)
local_pw = npw
CALL init_us_2(npw, igk_k(1,ik-iks-1), xk(1, ik), vkb)
CALL init_us_2(npw, igk_k(1,ik-iks+1), xk(1, ik), vkb)
IF ( gamma_only ) THEN
CALL calbec ( npw, vkb, evc, becp )