[Wien] take long time to plot DOS or electron density result.

Donghui Guo donghuig at gmail.com
Thu Aug 5 10:23:57 CEST 2010


Dear wien2k users,
I was running wien2k on my PC, which has 2 processors and 4 GB memory.
I calculated doped graphite which includes 56 inequivalent atoms and it took
5 hours for one cycle.
After converged, I tried to calculate the DOS and it took several tens
minutes for lapw5. I cannot get plotted images from w2web interface and only
can get images by running command "dosplot". This takes several HOURS to
show the image and I cannot adjust image otherwise it would take another
several hours.

Plateform: WIEN2K.10, the compilers I used are ifort and gcc. The OS is
ubuntu 10.04 (AMD64) Gnuplot 4.4

Thank you!
Donghui GUO
University of Tsukuba, Japan
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100805/d7bc7552/attachment.htm>


More information about the Wien mailing list