Re: [Wien] Error in *.vectorup and *.vectordn type files unformatted in SCF and Volume Optimization

2013-10-14 Thread Peter Blaha
On 10/11/2013 02:56 PM, Elias Assmann wrote: On 10/09/2013 06:03 PM, Gavin Abo wrote: I think the "/" in front of "/CoFeMnSn.vectordn" suggests that SCRATCH might have been set to the root directory were user permission problems can occur instead of the current directory "./" [http://zeus.theo

Re: [Wien] Error in *.vectorup and *.vectordn type files unformatted in SCF and Volume Optimization

2013-10-11 Thread Elias Assmann
On 10/09/2013 06:03 PM, Gavin Abo wrote: I think the "/" in front of "/CoFeMnSn.vectordn" suggests that SCRATCH might have been set to the root directory were user permission problems can occur instead of the current directory "./" [http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-May/017013

Re: [Wien] Error in *.vectorup and *.vectordn type files unformatted in SCF and Volume Optimization

2013-10-09 Thread Gavin Abo
I think the "/" in front of "/CoFeMnSn.vectordn" suggests that SCRATCH might have been set to the root directory were user permission problems can occur instead of the current directory "./" [http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-May/017013.html]. On 10/9/2013 8:56 AM, Vivek Ja

[Wien] Error in *.vectorup and *.vectordn type files unformatted in SCF and Volume Optimization

2013-10-09 Thread Vivek Jain
Dear all, I am running wien2k version on Ubuntu 12.04 system. i am Calculating SCF for CoFeMnSn heusler alloys using PBE-GGA 96 approximation, Rmt*Kmax = 7.0 after 3 cycle completely successful run then following error occurs in dnlapw1.error file Error in LAPW1 'INILPW' - can't open unit: