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yambo_rt and ypp_rt executables are missing from bin
Posted: Tue Feb 07, 2017 11:47 am
by sitangshu
Dear Sir,
I am running the recent version of yambo. The installation went fine without errors, i.e., configure and make all. However, in order to get the real time analysis, I am facing a strange problem that in the bin there is no ypp_rt and yambo_rt and yambo-surf executables.
How can I get them. Please let me know...
With regards,
Sitangshu
Re: yambo_rt and ypp_rt executables are missing from bin
Posted: Tue Feb 07, 2017 12:19 pm
by Daniele Varsano
Dear Sitangshu,
the RT features of Yambo are in the devel version of the code and they are not yet released under GPL license.
Hopefully they will be released soon but I cannot tell you a precise date.
Best,
Daniele
Re: yambo_rt and ypp_rt executables are missing from bin
Posted: Tue Feb 07, 2017 12:29 pm
by sitangshu
Dear Daniele,
Will these be necessary to calculate the eliashberg function?
Regards,
Sitangshu
Re: yambo_rt and ypp_rt executables are missing from bin
Posted: Tue Feb 07, 2017 12:35 pm
by Daniele Varsano
Dear Sitangshu,
no, the RT features are not needed to calculate el-ph effects.
Best,
Daniele
Re: yambo_rt and ypp_rt executables are missing from bin
Posted: Tue Feb 07, 2017 12:52 pm
by sitangshu
Dear Daniele,
While running an electron-phonon interaction script elph_pw_si from the yambopy section for bulk Si, I am getting this mesage
PW(ELPH) database ... not found.
The prerequisites groundstate ran without any error.
Is this serious?
WIth regards,
Sitangshu
Re: yambo_rt and ypp_rt executables are missing from bin
Posted: Tue Feb 07, 2017 12:59 pm
by amolina
Dear Sitangshu,
did you check if the el-ph calculations finish? the s.dbph_# files should be inside work/elph_dir.
Re: yambo_rt and ypp_rt executables are missing from bin
Posted: Tue Feb 07, 2017 1:16 pm
by sitangshu
Dear Alejandro,
The el-ph calculations are finished, but there is no elph_dir inside the work folder
I find only _ph0 and si.save folder. Apart from these there are si.dyn* files and .in and .out files. I am attaching the elph.in and .out file...
Please see...
WIth regards,
Sitangshu
Re: yambo_rt and ypp_rt executables are missing from bin
Posted: Tue Feb 07, 2017 1:25 pm
by amolina
Dear Sitangshu,
probably is due to the differences in the input file. Please, check the input files of yambopy tutorial for elph.
For instance, you have in 04elph.in trans=.false. but in your case is .true.. Maybe other variables are also different.
Alejandro
Re: yambo_rt and ypp_rt executables are missing from bin
Posted: Tue Feb 07, 2017 1:43 pm
by sitangshu
Dear Alejandro,
Many Thanks!!
It came up... & the problem with "smearing" is also gone
With regards,
Sitangshu