teststuie passesd 31/31 but lots of warnings and arch.mk is a mess lol.

[mike marchywka]

I attached the final mess a lot of issues may be due to my

quirky install but the include directories seemed a bit muddled for

things like Common.  I take it the test cases use questionable parameters

based on some of the warnings I saw. At some point I thought there was

a check step between check and jobscript but I can't find it now.

If anyone has test files or examples using jdftx that will be my next 

test. Looking forward to getting some EUV optical results lol.

Thanks. 

[Mauro Del Ben]

Hi Mike,

Happy it worked. In attachment a tarball with basic input files to use JDFTX and generate the WFN for BGW.

Best

-M

--
You received this message because you are subscribed to the Google Groups "BerkeleyGW Help" group.
To unsubscribe from this group and stop receiving emails from it, send an email to help+uns...@berkeleygw.org.
To view this discussion visit https://groups.google.com/a/berkeleygw.org/d/msgid/help/78c28023-219d-4ef4-85ab-0695bf5ef071n%40berkeleygw.org.

[mike marchywka]

Thanks. I was going to try the water example first since I don't know what 200 bands

would do on my desktop and I have some 10ev transistions from about 16 states

in the water. 

..
-rw-rw-r-- 1 marchywka marchywka      686 Oct  6 17:08 water.bgw.vxc.dat
-rw-rw-r-- 1 marchywka marchywka 19822540 Oct  6 17:08 water.bgw.wfn.h5

Just not sure what to do with GW first :)