Respected sir,

I am using [email protected] in my work station with ubuntu OS.I was trying to do the Elastic constant calculation using IRelast,but i was getting folllowing error.

I run 'set_elast_lapw'
then give no.of pressure
then value of pressure
After that i am getting as mentioned below


Read data from line 8 ....
At line 83 of file calLa_Pre_elast.f (unit = 10, file = 'MgO.outputeos')
Fortran runtime error: Constant string in input format
(' V0,B(GPa),BP,E0',3f15.4,f18.6)
                                ^

Error termination. Backtrace:
#0  0x154aa00e932a
#1  0x154aa00e9ed5
#2  0x154aa00ea69d
#3  0x154aa0253cb1
#4  0x154aa0262101
#5  0x154aa026372c
#6  0x154aa02642d2
#7  0x55d47934d7ef
#8  0x55d47934cd7e
#9  0x154a9f960c86
#10  0x55d47934cdb9
#11  0xffffffffffffffff
cp: cannot stat 'init.struct': No such file or directory


   (C)by Morteza Jamal
         (2014)
   *****  * *      ******
     *    *   *    *
     *    * *      ******
     *    * *      *
   *****  *   *    ******


#######################################
#          set_elast_lapw

#######################################
#     C_set_elast_lapw prepares       #
#    Directories  and job files.      #
#     C(2017) by Morteza Jamal        #
#      it creates   c11+2c12,         #
#       c11-c12, and c44 directories  #
#       and CUBIC.job file            #
#             in them                 #
#      which must be executed         #
#      and can be analyzed by         #
#         C_ana_elast_lapw            #
#######################################
cp: -r not specified; omitting directory '../../MgO/.'
cp: -r not specified; omitting directory '../../MgO/..'

So i kindly request to help me to correct this error.

with regards
Narayanan Namboodiri P


_______________________________________________
Wien mailing list
[email protected]
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/[email protected]/index.html

Reply via email to