[Wien] Error in LAPW1

2012-05-31 Thread Reza Mahani
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[Wien] Error in LAPW1

2012-05-31 Thread Peter Blaha
You defined the SCRATCH variable in a wrong way. It should be ./, not just / correct it in your .bashrc file and logout/login again (kill w2web and restart it again). Am 31.05.2012 14:31, schrieb Reza Mahani: Hi, I am a new user of Wien2k. I am trying to run some calculations in wien2k

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2012-05-31 Thread shahram solimanpour
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2012-05-31 Thread shahram solimanpour
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[Wien] mpif90

2012-05-31 Thread Saeid Jalali
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[Wien] x optic error

2012-05-31 Thread shahram solimanpour
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[Wien] FW: K_list band format

2012-05-31 Thread Parker, David S.
Does anyone know where in the lapw1 code the k-vectors from a case.klist_band file are read? I want to modify the format descriptor (lapw1 doesn't like k point labels of more than 3 digits). Thanks in advance, David Parker -- End of Forwarded Message

[Wien] FW: K_list band format

2012-05-31 Thread Laurence Marks
A pedagogical response: I am not sure if this is what you want, but for lapw1 they are read in inilpw.f (unit is ITAPE). On Thu, May 31, 2012 at 4:31 PM, Parker, David S. parkerds at ornl.gov wrote: Does anyone know where in the lapw1 code the k-vectors from a case.klist_band file are read? I