[Pw_forum] QE and mpich2, Linux

2010-12-13 Thread ac.r...@inbox.com
Hi Paolo thanks for your response. What do you mean exactly by "run interactively"? at first I tried running from the command line with mpi commands and then we moved to putting the info inside the PARA_PREFIX and PARA_PREFIX inside the actual script called "check-pw.x.j". to run this i have

[Pw_forum] Problem in Finding x.kpath file in pwtools

2010-12-13 Thread 改王之王改王之王
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[Pw_forum] kpoints along sym directions in k-lattice of hexagonal, valence and core charge density in atomic code ?

2010-12-13 Thread sonu kumar
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[Pw_forum] Bilayer graphene subject to an electric field

2010-12-13 Thread Elie Moujaes
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[Pw_forum] Problem in Finding x.kpath file in pwtools

2010-12-13 Thread Gabriele Sclauzero
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[Pw_forum] Problem in Finding x.kpath file in pwtools

2010-12-13 Thread priyanka goud
Hello, Iam Priyanka, recently started using pwscf version(QuantumEspesso-4.0.1) I would like to generate the list of k-points by using utility program X.KPATH in PWTOOLS. (Mentioned in http://www.tcd.ie/Physics/People/Claude.Ederer/teaching/PG5009/exercise3.pdf) But I

[Pw_forum] Problem in Finding x.kpath file in pwtools

2010-12-13 Thread naz...@iasbs.ac.ir
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[Pw_forum] Problem in Finding x.kpath file in pwtools

2010-12-13 Thread Paolo Giannozzi
On Dec 13, 2010, at 7:42 , priyanka goud wrote: > I would like to generate the list of k-points by using utility program > X.KPATH in PWTOOLS. it is not part of the "official" QE distribution P. --- Paolo Giannozzi, Dept of Chemistry, Univ. Udine via delle Scienze 208, 33100 Udine, Italy Phone