Re: [Wien] d start error

Sir narayanan@KANNAN:~$ ls -als /home/narayanan/WIEN2k_19.2/dstart ls: cannot access '/home/narayanan/WIEN2k_19.2/dstart': No such file or directory Also i checked the output files.Both the files you mentioned exists and contain the symmetry operations. Quoting Peter Blaha : do an ls

Re: [Wien] d start error

do an ls -als /home/narayanan/WIEN2k_19.2/dstart Does it exist ? Most likely the compilation did not work out. Am 28.04.2021 um 14:53 schrieb 413119...@nitt.edu: When i run x dstart iam getting the following error narayanan@KANNAN:~/Downloads/WIEN2k_19.2$ x dstart

Re: [Wien] Outputst

Thank you. في الأربعاء، 28 أفريل 2021 03:07 Laurence Marks كتب: > The reference state is always the lowest energy state at STP. Hence for Ar > it is isolated atoms in the gas, O2 the molecule and Na the solid. > > Case.outputst has isolated atom energies, but they cannot be used for >

Re: [Wien] d start error

When i run x dstart iam getting the following error narayanan@KANNAN:~/Downloads/WIEN2k_19.2$ x dstart /home/narayanan/WIEN2k_19.2/dstart: Command not found. 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w error: command /home/narayanan/WIEN2k_19.2/dstart dstart.def failed Quoting Peter Blaha :

Re: [Wien] d start error

Runx dstart and you should see a more informative error message. Also check case.outputs for any errors case.structif the sysmmetry operations have been written to this file at the bottom. Am 4/28/21 um 1:55 PM schrieb 413119...@nitt.edu: sir   i am using

[Wien] d start error

sir i am using wien2k19.2 in my ubuntu system.when i run the initialization using w2web i am getting the error below.I tried some trouble shooting methods still not able to rectify the error dstart -p > & .mist (22:32:09) n stop error n next is dstart 110 k-points