Unpacking .tgz files command The syntax is as follows: tar zxvf fileNameHere.tgz tar -xvf fileNameHere.tgz Or try the geeky bash pipe based syntax: gunzip -c fileNameHere.tgz | tar xvf - Examples In this example, unpack a file called backups.tgz, enter: tar zxvf backups.tg ...
单机4核 32位vasp并行安装 采用IFC编译器,MKL数据库mpich2-1.0.8对VASP编译的过程 1. 准备 系统为 suse linux enterprise Desktop service Pack2 For x86 VASP源代码(vasp.4.6.tar.gz和vasp.4.lib.tar.gz),mkl数据库(l_mkl_p_9.1.023.tar),ifc编译器(l_fc__pl_9.1.036.tar.gz),mpich2-1.0.8。我们将以 ...
Green'sfunction calculation F or a given k-point ,spin component ,complex energy ,and denoting PLs by or ,let us define the following matrices: k-space Overlap matrix linking PLs and ( must hold). k-space Hamiltonian matrix linking PLs and ( must hold). &n ...
How to Lock / UnLock (Enable / Disable) Linux User Account Before you remove an account from a system, is a good idea lock it for one week to make sure that no one use it. To lock, you can use the follow command: # passwd -l username ( where username is the login id ). This option is used to ...
VdW in VASP and QE It is clear that both VASP and QE have different flavors of theory implemented to deal with the vdW dispersion in solids and molecules. Van der Waal interactions can be accounted for in VASP during a structure optimization process. Setting the tag LVDW to TRUE initiates t ...