[Wien] plot 2D FermiSurface

2002jiaxiaowen 2002jiaxiaowen at 163.com
Thu Mar 26 02:04:04 CET 2009


I am sorry for the ambiguous description of my problem.
In fact,  I got the case.spaghetti_ene file after x spaghetti.
Because before the step x spaghetti, no problems occured, I took it for granted that I didn't need to describe the x spaghetti step again.
I used to did as the UG, however, problems occured when I used the fsgen_lapw to plot the 2D image.
I chaned the fortxx file directly to somename.ps as you suggested and found it worked very well.
I did as the following steps :
step 1: using sc_fs_ mesh to produce the required k mesh
step 2: copy the content in the fort.2 to case.klist, the original content  in case.klist is cleared.
step 3: edited the case.insp file as UG said
step 4: x lapw1
step 5:x spaghetti
step 6:edit the case.spaghetti_ene to add the NX NY ... to the head of the file
step7: spagh2rho<case.spaghetti_ene
the problem occured between step 6 and step 7 as described in my previous message.

This is my previous message:
Thank you very much for your help.
However, the problems seems still there.
After I got the case.klist file, I edited the case.insp file and changed the plotting number to 27-32( for in my case these bands intersect the fermi level) and issued the command x lapw1. Then I got the case.spaghetti_ene file. After that I added  80 80 0.47 0.47 159 159 1 1 to the head of this file and issued the command spagh2rho<case.spaghetti_ene. To my disappointment, no files like fortxx have been generated.
when I changed the 80 80 0.47 0.47 159 159 1 1to20 20 0.47 0.47 39 39 1 1and did the same job, some errors come upas fllows:
             .....
           7          17  -1.599240    
           7          18  -1.599390    
 error reading file. Propably wrong mesh
To my curiousty, however, the fortxx files had been genertaed, but the total number could not meet expection (5 files should be generated , here only 4 files generated)
And now I really got confued by this problem. 
thanks for your kindness to help!
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