Hi. My quick and dirty homemade way
ls -1 pdos_atm* > list.dat grep "(p" list.dat > list_2p.dat sumpdos.x -f list_2p.dat > pdos_2p.dat HTH ff On Wed, Dec 12, 2018 at 10:39 AM Gui Wei <[email protected]> wrote: > Hi, > When I sum the pdos for 2p orbitals of 64 carbon atoms with sumpdos.x : > ./sumpdos.x C.pdos_atm#1(\C\)_wfc#2\(p\) > C.pdos_atm#2(\C\)_wfc#2\(p\)……C.pdos_atm#64(\C\)_wfc#2\(p\).I obtain the > result that contains only two columns of data:E(eV)and pdos(E) rather > than four columns:E(eV) pdos(E) pdos(E) pdos(E). But what I care about is > the result of superposition of 2Pz orbital's states. Is there any easy > way to quickly count the data I want? > > > Gui Wei > School of Mechanical Engineering，Chongqing University, China > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Federico IORI Computational material scientist Paris-Saclay Research Center 1 chemin de la Porte des Loges <https://www.google.com/maps/place/Air+Liquide/@48.8297381,2.2016685,11.75z/data=!4m5!3m4!1s0x47e67e61a4fbbdc7:0xca3bea9e80059880!8m2!3d48.7630415!4d2.1333045> Les Loges en Josas – 78354 Jouy en Josas cedex Mail: [email protected] Phone: +33 7 621 605 15
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