Hi, I have this strange error . I don't quiet understand it . Isee that new pyTBT has pdos capability. But when i changed to the latest snapshot of inelastic i have started to get the following error.
Problems encountered with F90helpers.so Falling back on a pure python (slower) implementation Try compiling manually following these steps: $ cd Inelastica/package/F90 $ source compile.bat (or compile_alternative.bat) $ cp F90helpers.so <python>/site-packages/Inelastica/ I went to this folder and completed this procedure and placed the two files in right path and sourced then. still it does not go away . Plus i have lapack and boas routines that compiled well for siesta . This is rather weird. Any hints ? On Wed, Apr 22, 2015 at 10:51 PM, ganesh sivaraman <[email protected]> wrote: > Thanks all. I will try > > On Tue, Apr 21, 2015 at 8:54 PM, Magnus Paulsson <[email protected]> > wrote: > >> Try: >> pyTBT —help >> >> (SVN-version of Inelastica) >> >> This is the python version of tbtrans. Thomas has added a lot of PDOS >> calculations and the output files should >> be directly readable by xmgrace. I haven’t looked at PDOS myself so I >> don’t remember the details. >> >> -Magnus >> >> ----------------------------------------------- >> Magnus Paulsson >> Assistant Professor >> Dept. of Physics and Electrical Engineering >> Linnaeus University >> Phone: +46-480-446308 >> Mobile: +46-70-6942987 >> >> On 21 Apr 2015, at 18:46, ganesh sivaraman <[email protected]> >> wrote: >> >> Hi Nick , >> >> I am quiet familiar with EIgenchannels tools and --help for that was >> always helpful . Inelastica does say its for IETS. There are some flags >> similar to eingenchannels , when i tried the --help for inelastic . But i >> was not quiet sure about outputs. Its rather confusing unlike >> eigenchannels . >> >> Even some publications using this would have been very helpful . >> Please let me know >> >> >> On Tue, Apr 21, 2015 at 11:16 AM, Nick Papior Andersen < >> [email protected]> wrote: >> >>> Have you tried using the --help flag on the commands in Inelastica? >>> They are actually pretty helpful. >>> >>> 2015-04-21 9:40 GMT+02:00 ganesh sivaraman <[email protected]>: >>> >>>> Hi, >>>> >>>> I saw that Inelastica has the capability of give PDOS . Does any one >>>> have experience how to do this ? >>>> >>>> T&R, >>>> >>>> Ganesh Sivaraman >>>> >>> >>> >>> >>> -- >>> Kind regards Nick >>> >> >> >> >
