Respected prof
Thanks Sir Gavin Abo
with best regards
sikander
On Wednesday, August 20, 2014 6:25 AM, Gavin Abo gs...@crimson.ua.edu wrote:
'LAPW1 crashed' is commonly from a preceding error like
rsh: command not found
Dear Wien Users,
After I regulate StructGen, I looked at inside of nn.def file:
*66,'setrmt.outputnn','unknown','formatted',067,'setrmt.nnshells','unknown','formatted',088,'setrmt.bva','unknown','formatted',020,'setrmt.struct',
'old',
Each WIEN program has a list of the files that it will open for reading or
writing. This list is in the 'definition' file or 'def' file. The nn.def file
tells you which files will be used by the nn program. Everything is okay.
The files marked as 'old' are required to exist already. Typically
Thank you very much,
Best regards,
Hüsnü
21 Ağu 2014 20:23 tarihinde Kevin Jorissen kevinjorissen...@gmail.com
yazdı:
Each WIEN program has a list of the files that it will open for reading or
writing. This list is in the 'definition' file or 'def' file. The nn.def
file tells you which files
Dear Wien Users,
I tried to get mBJ Calculation for non-polarized case.
1- StructGen
2- Initialization Calc.
3- Run Scf
4- UserGuide 4.5.9 modified Becke-Johnson potential (mBJ) for band gaps
It doesn't work. Please. Insides of some files are below:
*inm.vresp:*
*PRATT 0.0 NO
What do you mean by It doesn't work? Which problem occurs?
On Thu, 21 Aug 2014, hüsnü kara wrote:
Dear Wien Users,
I tried to get mBJ Calculation for non-polarized case.
1- StructGen
2- Initialization Calc.
3- Run Scf
4- UserGuide 4.5.9 modified Becke-Johnson potential (mBJ) for band gaps
forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine
Line Source libifcore.so.5 2C9BD1F8 Unknown Unknown Unknown
libifcore.so.5 2C9E58F8 Unknown Unknown Unknown libifcore.so.5
2CA12CFC Unknown Unknown Unknown libifcore.so.5 2CA108AA
Unknown
What Wien2k version is this occurring with? I 'assume' you are using
13.1. Hopefully, you are not using 12.1, because mBJ sometimes did not
work in that older version due to a bug [
http://www.wien2k.at/reg_user/updates/ ].
What Intel Fortran compiler version are you using? I suspect that
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