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tot_magnetization set to -1 (i.e. unset) when calculating phonon 

dispersions to prevent a stupid error when initializing non-scf
calculations at finite k (the problem arises only with metals).
I don't know if this may cause trouble in other cases, though.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2973 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2006-03-28 16:26:43 +00:00
parent 0032789b2f
commit f10f109950
1 changed files with 3 additions and 2 deletions
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PH/phonon.f90
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@ -18,7 +18,7 @@ PROGRAM phonon
USE kinds, ONLY : DP
USE io_global, ONLY : stdout, ionode, ionode_id
USE wvfct, ONLY : gamma_only
USE klist, ONLY : xk, wk, xqq, degauss, nks
USE klist, ONLY : xk, wk, xqq, degauss, nks, tot_magnetization
USE relax, ONLY : restart_bfgs
USE basis, ONLY : startingwfc, startingpot, startingconfig
USE force_mod, ONLY : force
@ -217,7 +217,8 @@ PROGRAM phonon
startingconfig = 'input'
startingpot = 'file'
startingwfc = 'atomic'
wg_set=.false.
wg_set = .false.
tot_magnetization=-1
!
! ... tr2 is set to a default value of 1.D-8
!