Commit 50b86f47 authored by Gregor Michalicek's avatar Gregor Michalicek
Browse files

Quick fix for missing vacuum energy parameters without enpara file

At the moment film calculations cannot be performed without an explicit
enpara file. We want to overcome this by introducing reasonable default
vacuum energy parameters. However, in this quick fix the problem is simply
solved by generating an explicit enpara file whenever film calculations
are performed.
parent d03d1d33
......@@ -566,7 +566,7 @@ c in s and p states equal occupation of up and down states
enpara%lchange = .FALSE.
enpara%enmix = 1.0
enpara%lchg_v = .TRUE.
IF(juDFT_was_argument("-genEnpara")) THEN
IF(juDFT_was_argument("-genEnpara") THEN
lmaxdTemp = atoms%lmaxd
atoms%lmaxd = 3
OPEN (40,file='enpara',form='formatted',status='unknown') ! write out an enpara-file
......@@ -302,7 +302,7 @@
! set up parameters for enpara-file
IF (juDFT_was_argument("-genEnpara").AND..NOT.l_enpara) THEN
IF ((juDFT_was_argument("-genEnpara").OR.input%film).AND..NOT.l_enpara) THEN
OPEN (40,file='enpara',form='formatted',status='unknown')
enpara%lchange = .TRUE.
enpara%llochg = .TRUE.
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