Messages

16

General Discussion / Re: Band structure Plot Problem

« on: May 21, 2018, 11:44:09 PM »

You can use the exported data (*.xyy in the folder of fatbands) to plot sum of orbitals you want.

They should  be like  (x-y-weight)
0 -12.1966 3.8
0 -4.39594 48.6
0 2.09368 0.7
0.0555556 -12.193 0.8
0.0555556 -12.1904 2.9
0.0555556 -4.69092 9.9
0.0555556 -4.44083 36.3
0.0555556 -2.97185 2.1
0.0555556 2.11422 0.2
0.111111 -12.1811 0.9
0.111111 -12.1722 2.7
0.111111 -5.23582 8.3
0.111111 -4.56479 35.7
0.111111 -2.45961 3.6
0.111111 2.15941 0.4

17

Users' Sharings / Alert: There's error retrieving your HOMEDIR

« on: October 07, 2017, 04:52:14 AM »

Please check log & your .bashrc file in your $HOME

usually there is invalid line in .bashrc causes this problem.

e.g.
 
alias 'ls=ls --color'
test -s ~/.alias && . ~/.alias || true
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$HOME/lib
export PATH=$PATH:~//bin/vtstscripts/:/home/users/gx/tools/QE/qe-6.0/bin
export PATH=$PATH:~/jzq/script
export PYTHONPATH=~/phonopy-1.8.5.1/lib/python
tttt


Here the last line tttt is invalid, please delete this line.