[Pw_forum] Possible small bug in matdyn.f90
Hongjun Xiang
xianghjun at gmail.com
Mon Jun 11 02:31:39 CEST 2012
Dear all,
When I was trying to compute the phonon dispersion using matdyn.x from
espresso-5.0, I encountered a file reading error.
It seems that in the case of ibrav==0, one line (line 657) in matdyn.f90
should be commented out:
if (ibrav==0) then
read(1,'(a)') atm ! for compatibility
read(1,*) ((at(i,j),i=1,3),j=1,3)
end if
should be
if (ibrav==0) then
! read(1,'(a)') atm ! for compatibility
read(1,*) ((at(i,j),i=1,3),j=1,3)
end if
Please let me know if the deletion of the line is incorrect.
Thank you.
Best,
Hongjun Xiang
--
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Hongjun Xiang
Department of Physics, Fudan University
e-mail: hxiang at fudan.edu.cn
http://www.physics.fudan.edu.cn/chinese/doku.php?id=people:xianghongjun
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