[Wien] Two questions regarding volume optimization

Dear wien2k users, Lattice param. optimization can be done by using different kind of scripts as implemented in wien2k. Now there is an option corresponding to orthorhombic lattice:: [6]VARY A, B and C (3D-case) (orthorhombic lattice) Now my

[Wien] About optic code in WIEN2k_11.1 (Release 5/4/2011)

Hi I have a report to make about the optic code included in WIEN2k_11.1 (Release 5/4/2011). I am using the WIEN2k on a Fedora 12 system with ifort (IFORT) 10.1 20080602. I am calculating the optical constants for Si diamond structure crystal. (lattice parameter 10.270700 atu, Si at

[Wien] a perpetual request of the password

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[Wien] a perpetual request of the password

multiprocessor pc why this request and how to get rid of this requested password i hop you answer me this time request thank you in advance -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110609/2fdbcda3

[Wien] K-point parallel with MPI

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[Wien] a perpetual request of the password

Before WIEN2k can run in k-parallel mode, you must be able to do on the command line: ssh localhost and logged into the desired machine without a password. On some installations localhost may not work, but you have to provide a real name of the computer. And I guess after ssh-keygen -t rsa

[Wien] a perpetual request of the password

PS: When you have onle ONE computer (with 4-8 cores) you can also use shared memory machine during siteconfig. The you will run always on the local machine and do not need ssh at all. Am 09.06.2011 12:30, schrieb Peter Blaha: Before WIEN2k can run in k-parallel mode, you must be able to do on

[Wien] K-point parallel with MPI

What about reading the usersguide first ? Am 09.06.2011 15:17, schrieb moshi uddin: Dear wien2k users, Could anyone please help to install k-point patallelization. I have 7 desktop with i7 processor. Can anyone send me the steps that i need to follow, i am using CentOS 5.5 for all the PCs.

[Wien] K-point parallel with MPI

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[Wien] '12main' - QTL-B.GT.15., Ghostbands, check scf files

give me some advice how to solve this problem. Thank you in advance. All my best, Jihoon Park -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110609/a7c6ae8c/attachment.htm

[Wien] Installation of Phonon511

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