1
Release & Downloads / Re: Gropros_setup 1.1.1 released (Structure Analyzer with pymatgen)
« on: February 17, 2020, 06:34:22 AM »
Sructure Analyzer
Show Posts
This section allows you to view all posts made by this member. Note that you can only see posts made in areas you currently have access to.
Pages: [1]
2
Release & Downloads / Gropros_setup 1.2.0 released
« on: February 14, 2020, 07:45:30 PM »
Structrue Analyzer is introduced (pymatgen needed).
www.graphicinstructor.com/Groop_ROS_GI/Gropros_setup_1.2.0.exe
www.graphicinstructor.com/Groop_ROS_GI/Gropros_setup_1.2.0.exe
3
General Discussion / Re: Band structure Plot Problem
« on: December 22, 2018, 08:43:16 PM »
Its all in PROCAR, all I have to do is summing them.
How exactly do you do that, gx? Sorry for a newbie question.
5
Users' Sharings / Function in Groopros
« on: November 09, 2018, 12:39:28 AM »
Function is the program called for the remote dir
6
Users' Sharings / Liaison in Groopros
« on: November 08, 2018, 11:17:18 PM »
Liaison is used to setup the open method of the files on the server.
7
Release & Downloads / To evaluation users
« on: August 15, 2018, 11:16:27 PM »
G.I. now has expire date for every evaluation user, please contact us if your user validation is expired.
email: admin@graphicinstructor.com
email: admin@graphicinstructor.com
9
General Discussion / Re: Plotting DOS
« on: June 11, 2018, 01:46:43 AM »
Dear nanachi,
G.I. use the original arbitrary unit in DOSCAR rather than state/eV.
G.I. use the original arbitrary unit in DOSCAR rather than state/eV.
10
General Discussion / Re: Grins stopped working
« on: June 01, 2018, 07:57:56 AM »
glad to hear that
11
General Discussion / Re: Grins stopped working
« on: June 01, 2018, 03:55:11 AM »
please post your POSCAR for checking
12
Users' Sharings / Re: Alert: There's error retrieving your HOMEDIR
« on: May 21, 2018, 11:47:06 PM »
if you don't experience the error, you dnt need to do anything
13
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
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
14
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=$PATH:~/jzq/script
export PYTHONPATH=~/phonopy-1.8.5.1/lib/python
tttt
Here the last line tttt is invalid, please delete this line.
usually there is invalid line in .bashrc causes this problem.
e.g.
alias 'ls=ls --color'
test -s ~/.alias && . ~/.alias || true
export LD_LIBRARY_PATH=$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.
Pages: [1]