[Pw_forum] projwfc.x cannot produce the correct Lowdin charges or fail completely

Li, Run run.li at my.und.edu
Fri Oct 3 21:23:35 CEST 2014


Wow, it solved both problems! Thanks!

-----Original Message-----
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On Behalf Of Paolo Giannozzi
Sent: Friday, October 03, 2014 2:01 PM
To: PWSCF Forum
Subject: Re: [Pw_forum] projwfc.x cannot produce the correct Lowdin charges or fail completely

On Fri, 2014-10-03 at 18:18 +0000, Li, Run wrote:

> APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)

out of memory, likely. projwfc.x may take as much memory as a scf calculation

P.

--
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 

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