Messages

1

Users' Sharings / How to use remote program in ROS

« on: October 14, 2020, 11:43:53 PM »

Remote programs on the server could be used to deal with remote files, however only non-interactive programs are supported currently.

Here, we demo a simple example for transform lammps *.lmp structure file to VASP POSCAR with lmp2poscar.


https://share.weiyun.com/eMl7QPDB


lmp2poscar is a simple tool we develop with c++, which transform *.lmp structure file (first frame) to POSCAR.

2

Release & Downloads / Graphic Instructor 1.2.5

« on: August 09, 2020, 06:57:10 PM »

www.graphicinstructor.com/Groop_ROS_GI/Gropros_setup_1.2.5.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.

4

Users' Sharings / Parameters used in Liaison and Function

« on: November 09, 2018, 12:54:45 AM »

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: graphicinstructor@outlook.com

8

Users' Sharings / GI Introduction

« on: July 11, 2018, 05:35:33 PM »

http://www.docin.com/p-2119602727.html

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.

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

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.