hi , i installed the new version elk-3.1.12 . i tried task 205 but i had a bad results. so i run the example of Si-phonon-DFPT. but i obtained a dipersion (PHDISP.OUT) very different from that in the example with a negative frequencies. please can someone explain to me what is the probleme.??
ii have not modified the file elk.in.
THKS!
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hi , i installed the new version elk-3.1.12 . i tried task 205 but i had a bad results. so i run the example of Si-phonon-DFPT. but i obtained a dipersion (PHDISP.OUT) very different from that in the example with a negative frequencies. please can someone explain to me what is the probleme.??
ii have not modified the file elk.in.
THKS!
Hi,
Try the latest version (3.3.17). This has lots of improvments to the DFPT phonon code.
Regards,
Kay.