Monday, May 23, 2011

Inequivalence between PBE and PW91

Nonequivalence of the generalized gradient approximations PBE and PW91

HSE calculation using VASP

Self-consistent calculation
ISTART = 1
ICHARG = 1

#PREC = High
LREAL = .FALSE. #Auto
#ISIF=3

EDIFF = 1E-04 stopping-criterion for ELM

IBRION = 1
EDIFFG = -0.01 #eV/A
NSW = 1024

#IALGO = 38

#LWAVE=.FALSE.

ISMEAR = 0 #-5
SIGMA = 0.01 #0.05

LHFCALC = .TRUE.
HFSCREEN = 0.20
ALGO = N
TIME = 0.4

Saturday, May 21, 2011

flashplayer for 64 bit linux, firefox

On page http://labs.adobe.com/downloads/flashplayer10_square.html
download http://download.macromedia.com/pub/labs/flashplayer10/flashplayer10_2_p3_64bit_linux_111710.tar.gz and unzip it.

cp libflashplayer.so /usr/lib/mozilla/plugins/.
restart firefox

Friday, May 20, 2011

sftp, sshfs fail while ssh works well

sftp and sshfs may fail when trying to connect the remote server if there are shell initialization (.profile, .bashrc, .cshrc, etc) which produces output for non-interactive sessions. This can be verified by entering

ssh host /usr/bin/true

On my machine, I got the following output:

LD_LIBRARY_PATH: Undefined variable.
/usr/bin/true: Command not found.

After commenting out the defination of LD_LIBRARY_PATH in the ~/.cshrc on host, everything is working well.

slow password prompt when doing ssh

change in /etc/nsswitch.conf
hosts: files mdns4_minimal [NOTFOUND=return] dns mdns4
to
hosts: files dns
client operating system: ubuntu 10.04