EnglishFrenchSpanish

OnWorks favicon

VASPMO download for Linux

Free download  VASPMO Linux app to run online in Ubuntu online, Fedora online or Debian online

This is the Linux app named VASPMO whose latest release can be downloaded as vaspmo.c. It can be run online in the free hosting provider OnWorks for workstations.

Download and run online this app named VASPMO with OnWorks for free.

Follow these instructions in order to run this app:

- 1. Downloaded this application in your PC.

- 2. Enter in our file manager https://www.onworks.net/myfiles.php?username=XXXXX with the username that you want.

- 3. Upload this application in such filemanager.

- 4. Start the OnWorks Linux online or Windows online emulator or MACOS online emulator from this website.

- 5. From the OnWorks Linux OS you have just started, goto our file manager https://www.onworks.net/myfiles.php?username=XXXXX with the username that you want.

- 6. Download the application, install it and run it.

SCREENSHOTS

Ad


VASPMO


DESCRIPTION

VASPMO aims at visualizing wavefunctions (or molecular orbitals) from VASP calculations. It reads VASP's output files PROCAR and CONTCAR, and exports an *.out file in Gaussian's output format, which can be visualized by many popular visualization tools, such as JMol, Molekel, Chemcraft, Gabedit and Molden, etc. These tools can further generate *.cube files, which can be visualized by an even wider range of softwares.

读入VASP计算得到的PROCAR和CONTCAR文件,输出Gaussian结果文件。该文件能够被常用的量子化学可视化软件(如Molekel、Chemcraft、Gabedit、Molden和JMol等)读取,进而绘制和观看体系的分子轨道。有些软件还能导出 cube文件(如Chemcraft和Molden等),从而又能被很多支持cube格式文件的可视化软件所识别。



Features

  • !!! NEW VERSION v0.41 now able to treat more than 1000 bands!!!
  • !!! NEW VERSION v0.4 with major updates and bug fixation !!!
  • VASP v4.0 works for later versions of VASP (e.g., v5.4.*)
  • Automatically determine the numbers of alpha and beta electrons from PROCAR
  • Automatic normalization of the MOs so that their shapes are more appropriately visualized.
  • Fixed the problem for visualization by JMol (tested for JMol 14.30.2)
  • Fixed the bug that beta MOs are not written in the output for spin-polarized calculations.


Programming Language

C++, C



This is an application that can also be fetched from https://sourceforge.net/projects/vaspmo/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.


Free Servers & Workstations

Download Windows & Linux apps

  • 1
    Avogadro
    Avogadro
    Avogadro is an advanced molecular
    editor designed for cross-platform use
    in computational chemistry, molecular
    modeling, bioinformatics, materials
    science and ...
    Download Avogadro
  • 2
    XMLTV
    XMLTV
    XMLTV is a set of programs to process
    TV (tvguide) listings and help manage
    your TV viewing, storing listings in an
    XML-based format. There are utilities to
    do...
    Download XMLTV
  • 3
    strikr
    strikr
    Strikr Free Software project. Artifacts
    released under a 'intent based'
    dual license: AGPLv3 (community) and
    CC-BY-NC-ND 4.0 international
    (commercial)...
    Download strikr
  • 5
    GIFLIB
    GIFLIB
    giflib is a library for reading and
    writing gif images. It is API and ABI
    compatible with libungif which was in
    wide use while the LZW compression
    algorithm was...
    Download GIFLIB
  • 6
    Alt-F
    Alt-F
    Alt-F provides a free and open source
    alternative firmware for the DLINK
    DNS-320/320L/321/323/325/327L and
    DNR-322L. Alt-F has Samba and NFS;
    supports ext2/3/4...
    Download Alt-F
  • More »

Linux commands

  • 1
    4s-queryJ
    4s-queryJ
    4s-query � Run SPARQL queries on a
    4store storage backend ...
    Run 4s-queryJ
  • 2
    4ti2-circuits
    4ti2-circuits
    4ti2 - software package for algebraic,
    geometric and combinatorial problems on
    linear spaces ...
    Run 4ti2-circuits
  • 3
    cpufreq-set
    cpufreq-set
    cpufreq-set - A small tool which allows
    to modify cpufreq settings. SYNTAX:
    cpufreq-set [options] DESCRIPTION:
    cpufreq-set allows you to modify cpufreq
    setting...
    Run cpufreq-set
  • 4
    cpufreqd-get
    cpufreqd-get
    cpufreqd-get - Issues "get" commands to
    cpufreqd. SYNTAX: cpufreqd-get [-l]
    PARAMETERS: -l list applied Profiles for
    all cpus. DESCRIPTION: cpufreqd-get
    issues...
    Run cpufreqd-get
  • 5
    gammu
    gammu
    gammu - Does some neat things with your
    cellular phone or modem. ...
    Run gammu
  • 6
    ganglia2pcp
    ganglia2pcp
    ganglia2pcp - import ganglia data and
    create a PCP archive ...
    Run ganglia2pcp
  • More »

Ad