Dear users, I am experiencing problems running a phonon calculation (at gamma) for a system of PE (C20 olygomer, see pe-C20-scf.in). The code ph.x stops writing the output after calculating the number of modes to be optimized (see pp-ph.out). I tried to enhance the computational resources, but I obtained no effect. Can someone help me out? I attach some useful files to reproduce the calculation. Thank you so much in advance Giacomo
[http://signature.rse-web.it/_rse_logo.png] Giacomo Buccella, PhD Researcher Measurements and Diagnostics of T&D Components Research Group Transmission and Distribution Technologies Department Mobile: +393275231140 Ricerca sul Sistema Energetico - RSE S.p.A. Via R. Rubattino 54 - 20134 Milano www.rse-web.it<https://www.rse-web.it> ________________________________ [http://signature.rse-web.it/_Leaf.png] Please consider the environment before printing this email follow us [http://signature.rse-web.it/_linkedin.png] <https://it.linkedin.com/company/ricerca-sul-sistema-energetico---rse-spa> [http://signature.rse-web.it/_twitter.png] <https://twitter.com/rsenergetico> [http://signature.rse-web.it/_youtube.png] <https://www.youtube.com/user/RSEmedia> RSE SpA ha adottato il Modello Organizzativo ai sensi del D.Lgs.231/2001, in forza del quale l'assunzione di obbligazioni da parte della Societ? avviene con firma di un procuratore, munito di idonei poteri. RSE adopts a Compliance Programme under the Italian Law (D.Lgs.231/2001). According to this RSE Compliance Programme, any commitment of RSE is taken by the signature of one Representative granted by a proper Power of Attorney. Le informazioni contenute in questo messaggio di posta elettronica sono riservate e confidenziali e ne e' vietata la diffusione in qualsiasi modo o forma. Qualora Lei non fosse la persona destinataria del presente messaggio, La invitiamo a non diffonderlo e ad eliminarlo, dandone gentilmente comunicazione al mittente. The information included in this e-mail and any attachments are confidential and may also be privileged. If you are not the correct recipient, you are kindly requested to notify the sender immediately, to cancel it and not to disclose the contents to any other person.
pe-C20-scf.in
Description: pe-C20-scf.in
pp-ph.in
Description: pp-ph.in
pp-ph.out
Description: pp-ph.out
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